Have you maybe tried this?
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List/Search?q=%22vacuum+simulation%22
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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