[gmx-users] Appropriate tool to get the number of solvent molecules within a cutoff distance around protein molecule
leafyoung81-group at yahoo.com
Sat Mar 17 17:35:13 CET 2007
try g_trjorder. Some code modification may be needed.
OZGE ENGIN wrote:
> I want to calculate the number of solvent molecules within a cutoff distance around the protein molecule. I could not find the appropriate command for this in manual. Moreover, I could not understand the information for g_sorient.Could you give me a more detailed explanation for this?
> Thanks in advance
> Ozge Engin
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