[gmx-users] Re: vaccum simulation error
Felipe Pineda, PhD
luis.pinedadecastro at lnu.se
Tue Feb 19 12:49:44 CET 2013
Have you maybe tried this?
Own initiative and discrete thinking is mandatory for research.
On 02/19/2013 12:32 PM, raji wrote:
> for vacuum simulation , no need to specify cut-offs right. am using 8x8x8 box
> and if we don't specify barostat it will again be a NVT simulations right.
> vacuum simulations can be done only in NVT ??
> sorry if am wrong . please clarify this doubt
> thanks in advance
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