RE: [gmx-users] segmentation fault, very high KE but no high velocity

2006-07-20 Thread Dongsheng Zhang
On Thu, 2006-07-20 at 14:55 +0200, Berk Hess wrote: > > > >From: Dongsheng Zhang <[EMAIL PROTECTED]> > >Reply-To: Discussion list for GROMACS users > >To: Discussion list for GROMACS users > >Subject: RE: [gmx-users] segmentation fault, very high KE but n

RE: [gmx-users] segmentation fault, very high KE but no high velocity

2006-07-20 Thread Berk Hess
From: Dongsheng Zhang <[EMAIL PROTECTED]> Reply-To: Discussion list for GROMACS users To: Discussion list for GROMACS users Subject: RE: [gmx-users] segmentation fault, very high KE but no high velocity Date: Thu, 20 Jul 2006 08:51:43 -0400 Dear Berk, Thank you for your repl

RE: [gmx-users] segmentation fault, very high KE but no high velocity

2006-07-20 Thread Dongsheng Zhang
best! Dongsheng On Thu, 2006-07-20 at 09:20 +0200, Berk Hess wrote: > > > >From: Dongsheng Zhang <[EMAIL PROTECTED]> > >Reply-To: Discussion list for GROMACS users > >To: Discussion list for GROMACS users > >Subject: [gmx-users] segmentation fault, very high

RE: [gmx-users] segmentation fault, very high KE but no high velocity

2006-07-20 Thread Berk Hess
From: Dongsheng Zhang <[EMAIL PROTECTED]> Reply-To: Discussion list for GROMACS users To: Discussion list for GROMACS users Subject: [gmx-users] segmentation fault, very high KE but no high velocity Date: Wed, 19 Jul 2006 12:53:00 -0400 Hello, gmx users, I got segmentation fault du

[gmx-users] segmentation fault, very high KE but no high velocity

2006-07-19 Thread Dongsheng Zhang
Hello, gmx users, I got segmentation fault during a simulation. I outputted log, xtc, trr file every step. From the log file, I can see that the KE is very high in the last step, so I checked the velocities of particles in the last step. Surprisingly there is no particle whose absolute value of th