[gmx-users] Can I equilibrate with Parinello-Rahman?

Mark Abraham Mark.Abraham at anu.edu.au
Thu Apr 26 16:10:23 CEST 2012

On 26/04/2012 10:47 PM, PAVAN PAYGHAN wrote:
> Dear Mark,
> Thanks a lot for the reply and highlighting the cause of error that I 
> was facing.
> Still can it be possible to overcome the same error with the available 
> facility.

Unfortunately you're forcing me to guess the context for this question. 
If there was a way to make P-R P-couping stable for equilibration in 
general, then it would not have the reputation for being unstable... I 
gave my advice about what to do already.


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