[gmx-users] dppc's simulation

David van der Spoel spoel at xray.bmc.uu.se
Wed Feb 26 13:51:32 CET 2003

On Wed, 2003-02-26 at 09:48, Chen Hao wrote:
> Dear David:
> It seems you are right. But now I have another question, first I simulate at constant volume(NVT) to equilibrate, everything is ok, then when I do simulation at constant pressure(NPT), mdrun report the following messages and freeze:
change tau_p to 2 ps or so. It is way to small.

Groeten, David.
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
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

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