Hi Ashwini,
On 21/03/2012, at 10:09 PM, ashwini gupta wrote:
> However, when i prepare the prmtop file and inpcrd file for further MD
> simulation, should i name that particular water molecule as MOH or should i
> let leap solvate the system.
Is it not named as MOH already in the PDB file produced by MCPB?
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Received on Wed Mar 21 2012 - 03:00:02 PDT
