On Tue, May 14, 2013, yanyuna wrote:
> >>When I run the MD in the amber tutorial A15 "Tutorial: A
> >>room-temperature ionic liquid", I have add "iwrap =1" ,but the restart
> >>file was still wrong because of the Explosion of the molecules . How
> >>can I solve this problem?
The "min1.x" file already has the problem, as far as I can tell. You should
study the output of the minimization to look for problems.
...dac
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Received on Tue May 14 2013 - 04:00:03 PDT
