[gmx-users] genbox

Mark Abraham mark.abraham at anu.edu.au
Mon Jan 16 10:18:04 CET 2012


 
 
On 16/01/12, vidhya sankar <scvsankar_agr at yahoo.com> wrote:

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> Hello  Justin, 
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>                  Thanks for your patient reply
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>                   I would like to solvate my molecules with specific number of water molecules
> what option is a suitable to do that ?  in editconf 
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> with regards 
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> S.Vidhya sankar
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See genbox -h. There is an option to set an upper bound on the number of solvent molecules added. It's up to you to choose a suitable volume beforehand. 
 
Mark 
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