Fw: Fw: [gmx-users] How to restart the crashed run

dear mark will all my output write well after restart and are their names md? will old my output reconstruct or will generate new output? thank - Forwarded Message - From: Mahboobeh Eslami To: "gmx-users@gromacs.org" Sent: Tuesday, September 17, 2013 2:00 PM Subject: Fw

Fw: Fw: [gmx-users] How to restart the crashed run

dear mark thank you so much Good luck - Forwarded Message - From: Mark Abraham To: Mahboobeh Eslami ; Discussion list for GROMACS users Sent: Tuesday, September 17, 2013 1:21 PM Subject: Re: Fw: [gmx-users] How to restart the crashed run mdrun -v -deffnm md -cpi md IIRC the

Fw: [gmx-users] How to restart the crashed run

Mark Abraham To: Mahboobeh Eslami ; Discussion list for GROMACS users Sent: Tuesday, September 17, 2013 12:23 PM Subject: Re: [gmx-users] How to restart the crashed run You named them last time you ran mdrun, either explicitly or with -deffnm. Do the same. Mark On Tue, Sep 17, 2013 at 3:19 AM,

[gmx-users] How to restart the crashed run

is no reason to change that). Simply use md.cpt, now that you have it :-) Mark On Tue, Sep 17, 2013 at 2:49 AM, Mahboobeh Eslami wrote: > I have md.cpt but I don't have restart my run > What is the purpose of the state.cpt file? > thank you so much > > From: Mark Abraham &g

[gmx-users] How to restart the crashed run

hi my friends please help me i did 20 ns simulation by gromacs 4.5.5 but the power was shut down near the end of the simulation How to restart the crashed run?  in the gromacs.org following comment has been proposed mdrun -s topol.tpr -cpi state.cpt but i don't have state.cpt in my folder.

[gmx-users] vdwtype in mdp file for LIE method

hi all freind what is vdwtype in mdp file for LIE method in free energy calculation? best regard -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting

[gmx-users] (no subject)

hi please help me must all mdp files to be similar for g_lie program? shouldn't i use of PME in all mdp files? what edr file must i use as input file for g_lie? best regards -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search

[gmx-users] g_lie

hi must all mdp files be similar for g_lie program? shouldn't i use of PME in all mdp files? what edr file must i use as input file for g_lie? many thanks / -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please s