[AMBER] prmtop

From: Bailey, Steven <s.bailey.lancaster.ac.uk>
Date: Wed, 12 Jun 2013 13:42:46 +0000

Amber mailing
I am new to Amber but am a user of DLPOLY. In DLPOLY once I have created a force field for a single molecule I can then repeat that molecule as many times as I want by simply telling DLPOLY to read the force field parameters repeatedly (of course this has to agree with the coordinate file input).
How do I do this in Amber i.e. I have the mol2 file from Antechamber for 1 molecule and I then prepare a prmtop file. Is there a counter in this file to tell Amber to read it 100 times?. I have a separate routine to write out the required inpcrd.

Steve

Dr S Bailey
Department of Physics
Lancaster University UK
Email: s.bailey.lancaster.ac.uk
Tel: +441524592844



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Received on Wed Jun 12 2013 - 07:00:03 PDT
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