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:

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

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 &

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

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

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

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

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

2013-02-25 Thread Nilesh Dhumal
ht- >> Von: gmx-users-boun...@gromacs.org [mailto:gmx-users- >> boun...@gromacs.org] Im Auftrag von Nilesh Dhumal >> Gesendet: Montag, 25. Februar 2013 14:00 >> An: Discussion list for GROMACS users >> Betreff: Re: AW: AW: [gmx-users] g_current >> >> Hello

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

2013-02-25 Thread Florian Dommert
t; Betreff: Re: AW: AW: [gmx-users] g_current > > Hello, > > I am using Gromacs VERSION 4.0.7. > > Nilesh > > > > Hi, > > > > Which version of gromacs are you using. I am applying this tool also > > to ILs and it works fine for me in th

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

2013-02-25 Thread Nilesh Dhumal
Hello, I am using Gromacs VERSION 4.0.7. Nilesh > Hi, > > Which version of gromacs are you using. I am applying this tool also to > ILs > and it works fine for me in the release-4-5 branch. It is especially > strange > that you have a rotational dipole moment of zero. However, currently I > h

AW: AW: [gmx-users] g_current

2013-02-25 Thread Florian Dommert
Hi, Which version of gromacs are you using. I am applying this tool also to ILs and it works fine for me in the release-4-5 branch. It is especially strange that you have a rotational dipole moment of zero. However, currently I have no idea where the segfault arises. Especially because you get an