[AMBER] Can we solvate the box with ligand

From: Ayesha Fatima <ayeshafatima.69.gmail.com>
Date: Fri, 24 Jan 2014 15:42:26 +0800

Dear All,
I am looking for any one who can tell me whether it is possible to solvate
the box with ligand along with water molecules. I have seen the TI tutorial
but it odes not solve my issue. I am actually interested learning the
effect of concentration on protein ligand complexation with the idea that
the effect of ligand is concentration dependent. I shall appreciate any
I would also like to know if "solvatebox" command can be used for the
 same. there are also "solvateshell" and "solvatecap" commands in LEAP.
Thank you
Ayesha Fatima
PhD candidate UM
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Received on Fri Jan 24 2014 - 00:00:02 PST
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