[gmx-users] About CNT wrapped by Cyclic peptide
mark.j.abraham at gmail.com
Mon May 20 12:37:27 CEST 2013
On Mon, May 20, 2013 at 12:25 PM, vidhya sankar <scvsankar_agr at yahoo.com>wrote:
> Dear Mark and Justin Thank you for yours previous Replies;
> You Mailed ME that My NVT and NPT equilibration is seems to be crashed .
> But Actually My NVT Equlibration and NPT Equlibation was Sucessfull It
> gives Nice output without Lincs warning , System exploding
Shrug. You reported a simulation failing with LINCS issues...
But My Question Is there is Any Relation between System size and
> Equilibration Time
There can be. Depends on the system and what you want to observe.
> Because My I ran 2 ns equilibration (fro Both NPT & NVT ) So I want to
> Increase the time step to atleast 10 ns
> Thanks In Advance
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