On Tue, Feb 14, 2017, Robin Jain wrote:
> How could i know parameters such as Lennard Jones potential (A & B) sigma,
> Epsilon charge etc from amber prmtop, trajectory,other files.
This sort of information is contained in prmtop files, not in trajectory
files (which have only coordinates.)
The parmed program has a number of commands to help you: start parmed,
type "help" and look at commands like printLJMatrix and printLJTypes.
printDetails will get you information about charges.
....good luck....dac
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Received on Thu Feb 16 2017 - 05:30:07 PST
