[gmx-users] regarding nvt

Mark Abraham Mark.Abraham at anu.edu.au
Mon Jan 9 05:33:21 CET 2012


On 9/01/2012 3:08 PM, priya thiyagarajan wrote:
> hello sir,
> Thanks for your reply.
> Intensionally  i didnt neutralise my system..

Well you're probably not modelling reality.

> i am using version 3.3.3..

You'll get much better performance and useful help if you update.

>
> i like to know
> is there anything wrong in using maxwarn in my commamd?

Probably.

> did maxwarn ll affect my result  sir  ?

We can't know because we don't know what the warnings were.

Mark



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