AW: AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current

2013-03-07 Thread Florian Dommert
ff: Re: AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current > > Hello, > > I run a 500ps simulation and save the trajectory each 3fs. > > g_current work till 498ps and later it shows -nan. > > Can you tell where is the problem > > Nilesh > > > > Hi, >

Re: AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current

2013-03-06 Thread Nilesh Dhumal
Ursprüngliche Nachricht- >> Von: gmx-users-boun...@gromacs.org [mailto:gmx-users- >> boun...@gromacs.org] Im Auftrag von Florian Dommert >> Gesendet: Mittwoch, 27. Februar 2013 18:46 >> An: 'Discussion list for GROMACS users' >> Betreff: AW: AW: AW: AW: AW: AW:

Re: AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current

2013-03-02 Thread Nilesh Dhumal
Ursprüngliche Nachricht- >> Von: gmx-users-boun...@gromacs.org [mailto:gmx-users- >> boun...@gromacs.org] Im Auftrag von Florian Dommert >> Gesendet: Mittwoch, 27. Februar 2013 18:46 >> An: 'Discussion list for GROMACS users' >> Betreff: AW: AW: AW: AW: AW: AW:

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2013-03-01 Thread Florian Dommert
An: 'Discussion list for GROMACS users' > Betreff: AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current > > > -Ursprüngliche Nachricht- > > Von: gmx-users-boun...@gromacs.org [mailto:gmx-users- > > boun...@gromacs.org] Im Auftrag von Nilesh Dhumal > > G

AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current

2013-02-27 Thread Florian Dommert
> -Ursprüngliche Nachricht- > Von: gmx-users-boun...@gromacs.org [mailto:gmx-users- > boun...@gromacs.org] Im Auftrag von Nilesh Dhumal > Gesendet: Mittwoch, 27. Februar 2013 17:38 > An: Discussion list for GROMACS users > Betreff: Re: AW: AW: AW: AW: AW: AW: [gm

Re: AW: AW: AW: AW: AW: AW: [gmx-users] g_current

2013-02-27 Thread Nilesh Dhumal
gt;> boun...@gromacs.org] Im Auftrag von Nilesh Dhumal >> Gesendet: Mittwoch, 27. Februar 2013 15:26 >> An: Discussion list for GROMACS users >> Betreff: Re: AW: AW: AW: AW: AW: [gmx-users] g_current >> >> Hello, >> >> Yes. Segfault is solved. I saving vel

AW: AW: AW: AW: AW: AW: [gmx-users] g_current

2013-02-27 Thread Florian Dommert
Mittwoch, 27. Februar 2013 15:26 > An: Discussion list for GROMACS users > Betreff: Re: AW: AW: AW: AW: AW: [gmx-users] g_current > > Hello, > > Yes. Segfault is solved. I saving velocites and coordinates at 2 ps. > > Nilesh > > > Hi, > > > > At leas

Re: AW: AW: AW: AW: AW: [gmx-users] g_current

2013-02-27 Thread Nilesh Dhumal
6. Februar 2013 17:50 >> An: Discussion list for GROMACS users >> Betreff: Re: AW: AW: AW: AW: [gmx-users] g_current >> >> Hello, >> >> I didn't get any segmental fault if I use Gromacs Version 4.5.5. >> >> g_current -f md.trr -s md.tpr -mc &

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2013-02-27 Thread Florian Dommert
achricht- > Von: gmx-users-boun...@gromacs.org [mailto:gmx-users- > boun...@gromacs.org] Im Auftrag von Nilesh Dhumal > Gesendet: Dienstag, 26. Februar 2013 17:50 > An: Discussion list for GROMACS users > Betreff: Re: AW: AW: AW: AW: [gmx-users] g_current > > Hello, > > I didn

Re: AW: AW: AW: AW: [gmx-users] g_current

2013-02-26 Thread Nilesh Dhumal
gart > > Tel.: 0711-68563613 > Fax: 0711-68563658 > > >> -Ursprüngliche Nachricht- >> Von: gmx-users-boun...@gromacs.org [mailto:gmx-users- >> boun...@gromacs.org] Im Auftrag von Nilesh Dhumal >> Gesendet: Montag, 25. Februar 2013 15:35 >> An: Discussion list

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2013-02-26 Thread Florian Dommert
to:gmx-users- > boun...@gromacs.org] Im Auftrag von Nilesh Dhumal > Gesendet: Montag, 25. Februar 2013 15:35 > An: Discussion list for GROMACS users > Betreff: Re: AW: AW: AW: [gmx-users] g_current > > Hello, > > Thanks. > > I will update Gromacs version. Can

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2013-02-25 Thread Nilesh Dhumal
Hello, Thanks. I will update Gromacs version. Can you tell which version you are using ? Nilesh > Hi, > > Can you update your Gromacs version to an actual release and check if the > problem still occurs. It is very strange that the Einstein-Helfand fit > gives > 0 for sigma and M_J^2. > > Chee

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2013-02-25 Thread Florian Dommert
Hi, Can you update your Gromacs version to an actual release and check if the problem still occurs. It is very strange that the Einstein-Helfand fit gives 0 for sigma and M_J^2. Cheers, Flo --- Florian Dommert Dipl. Phys. Institut für Computerphysik Universität Stuttgart Allmandring 3 D-70