Hi Tanping, This may seem irrelevant, but are you using PME? And which version of GROMACS is it?
Greetings, Jeroen >Date: Sun, 7 Oct 2007 08:46:04 -0700 (PDT) >From: Tanping Li <[EMAIL PROTECTED]> >Subject: Re: [gmx-users] Different nstxout and nstvout in mdp file > gives totally different trajectory >To: Discussion list for GROMACS users <[email protected]> >Message-ID: <[EMAIL PROTECTED]> >Content-Type: text/plain; charset=iso-8859-1 > >Dear Tsjerk, > >Thanks for your help. > >I run the two jobs on a cluster, maybe on different nodes; > >After just a few hundreds ps, the coordinates of the system >differs a lot. When I calculate the distance between two >atoms, there is about 1.5A difference; > >Everything else in mdp file is exactly same. > > >Yours >Tanping _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
