[gmx-users] Re: Increase temperature to 550K
Vitaly V. Chaban
vvchaban at gmail.com
Wed Nov 11 00:31:07 CET 2009
> Vitaly V. Chaban wrote:
>> I think the problem is hidden in your water force field model.
> On what basis? The user hasn't provided any information to suggest it's
> other than a poorly-conditioned integration.
On the basis of intuition. Most of the known water models behave
incorrectly at such high temperatures. Be sure I guessed. :)
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