Dear DEBOSTUTI GHOSHDASTIDAR,
> Could anyone suggest if there is a way to generate frc and prep files for
> an organic molecule, say X, from the topology file of a system containing
> large number of X in a box of water? It would be kind of going backward.
Here you need to read a little bit; i.e. the Amber manuals and perform
a google search...
In short use Antechamber from the AmberTools or R.E.D. Server
Dev./R.E.D. Python at q4md-forcefieldtools.org.
regards, Francois
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Received on Wed Mar 26 2014 - 00:30:02 PDT
