[gmx-users] It's spinning!

=?koi8-r?Q?=22?=Peter Mamonov=?koi8-r?Q?=22=20?= superpiton at list.ru
Fri Dec 26 18:26:01 CET 2003

Dear Gromacs users,
I've got a problem: while running molecular dynamics in vacuum using Berendsen thermostate my system (single aminoacid, I use it just for testing) starts rotating in spite of "comm_mode" parameter in MDP file is set to "angular". Could it be because of runnig Gromacs under Windows (I've downloaded Gromacs binaries for Win from www.gromacs.org)? Maybe there are some other parameters I should initialize? I would greatly appreciate receiving yor advices.

Dept. of Biophysics, Biological faculty, Moscow State University, Moscow, Russia.


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