Re: [AMBER] about lipids retrain

From: Albert <>
Date: Wed, 17 Aug 2016 14:26:59 +0200

I see.
Thanks a lot for such helpful advices....

On 08/17/2016 01:48 PM, David A Case wrote:
> This will restrain all atoms in residues 1 to 384. The sander or pmemd
> programs don't have any notion of what "kinds" of atoms these are (e.g.
> protein, lipid, solvent, head-groups, tails, etc.) Make a pdb file using
> ambpdb, and look to see what atoms are in the residues you have chosen.
> Don't be afraid to experiment: run a short simulation and see what moves.
> ....dac

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Received on Wed Aug 17 2016 - 05:30:03 PDT
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