[gmx-users] Re: [gmx-developers] My system stops in the middle of a minimization

nds like a users question, please use the gmx-users list for that (included in this message already). -- Groetjes, Anton _ ___ | | | | _ _ ___,| K. Anto

[gmx-users] Re: Need help regarding renumtop

l_Chain_B.itp. P.s., I'm not regularly reading the gmx-users list anymore. If you want a response from me, please (also) reply to me directly. -- Groetjes, Anton _ ___ | |

[gmx-users] Re: Request

-- Groetjes, Anton _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( | )| | | De Boelelaan 1083A - 1081 HV Amsterdam - Netherlands | | \_/ \_/ | | | Tel +31 20 59 87783 - Fax +3

[gmx-users] Re: Gromacs

nton _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( | )| | | De Boelelaan 1083A - 1081 HV Amsterdam - Netherlands | | \_/ \_/ | | | Tel +31 20 59 87783 - Fax +31 20

[gmx-users] Re: g_lie function

this was fixed, but be sure to check! -- Groetjes, Anton _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( | )| | | De Boelelaan 1083 -

Re: [gmx-users] invalid order of directive moleule type

ne a moleculetype). Read the manual, please, especially those beautiful chapters on forcefields and on topologies! -- Groetjes, Anton _ ___ | | | | _ _

Re: [gmx-users] creating topology files

Anton _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( |

Re: [gmx-users] name of molecules at rtp archives!

site... -- Groetjes, Anton _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( | )| | | De Boelelaan 1083 - 1081A HV Amsterdam - Netherlands | | \_/ \_/ | | | Tel +31 20 59 8778

Re: [gmx-users] CVS support for threads [was: qm_mopac.c problems in building of 3.3.1]

avid would put it ;-). -- Groetjes, Anton _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( | )| | | De Boelelaan 1083 - 1081A HV Amsterdam - Netherlands | | \_/ \_/ | | | Tel +31 20 59 87783 - Fax +3

Re: [gmx-users] RE: Bound oxygen molecule

roetjes, Anton _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( | )| | | De Boelelaan 1083 - 1081A HV Amsterdam - Netherlands | | \_/ \_/ | | | Tel +31 20 59 87783 - Fax +31 20

Re: [gmx-users] ligand falling out of active site during EM

may not be what you expect. -- Groetjes, Anton * NOTE: New Affiliation, Phone & Fax numbers (below) * _ ___ | | | | _ _

Re: [gmx-users] Re: Your Question about unwanted waters

E: New Affiliation, Phone & Fax numbers (below) * _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( | )| | | De Boelelaan 1083 - 1081

Re: [gmx-users] topology transformation

Fax numbers (below) * _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( | )| | | De Boelelaan 1083 - 1081A HV Amsterdam - Netherlands | | \_/ \_/ | | | Tel +31 20 59 87783 - Fax +31

Re: [gmx-users] trjcat -settime option

NOTE: New Affiliation, Phone & Fax numbers (below) * _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam

[gmx-users] Re: Can you help me?

Dr. Dong XY wrote: Hello, K. Anton Feenstra I'm a student of Tianjin University of China. I want to get the chemical unfolding structure of protein.But I can't minimize the mixture. I always get the following cues: ~~~ St

Re: [gmx-users] Analysis programs and PBC.

on in relation to the protein. -- Groetjes, Anton * NOTE: New Affiliation, Phone & Fax numbers (below) * _ ___ | | | | _ _ ___,| K. Anton

Re: [gmx-users] Analysis programs and PBC.

numbers (below) * _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( | )| | | De Boelelaan 1083 - 1081A HV Amsterdam - Netherlands | | \_/ \_/ | | | Tel +31 20 59 87783 - Fax +31

Re: [gmx-users] sw water problem

Groetjes, Anton * NOTE: New Affiliation, Phone & Fax numbers (below) * _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioin

Re: [gmx-users] coordinate file is mandatory?

mp; Fax numbers (below) * _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( | )| |

Re: [gmx-users] Re: g_hbond

output of g_hbond? -- Groetjes, Anton * NOTE: New Affiliation, Phone & Fax numbers (below) * _ ___ | | | | _ _ ___,| K.

Re: [gmx-users] HEME-LIGAND

e.g. myoglobin. -- Groetjes, Anton * NOTE: New Affiliation, Phone & Fax numbers (below) * _ ___ | | | | _ _ ___,| K. Anton Feen

Re: [gmx-users] gmx-users Digest, Vol 21, Issue 74

. I am expecting more from GROMACS users www.rcsb.org -- Groetjes, Anton * NOTE: New Affiliation, Phone & Fax numbers (below) * _ ___ | | | | _ _ ___,|

Re: [gmx-users] simulation crash

elow) * _ ___ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( | )| | | De Boele