[gmx-users] Potential energy increases
spoel at xray.bmc.uu.se
Wed Jun 8 19:07:37 CEST 2005
On Wed, 2005-06-08 at 10:37 +0100, Binbin Liu wrote:
> Dear all,
> After energy minimisation, I applied equilibrium simulation to the system.
> There is one thing seems odd to me. The potential energy of the whole system
> increased at the start several steps of simulation and then reached stable.
> My questions is if this is correct or not. What does cause this phenomena?
I just answered this.
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
More information about the gromacs.org_gmx-users