[AMBER] DMPG lipid bilayer simulations?

From: Smith, Jarrod A <jarrod.smith.Vanderbilt.Edu>
Date: Thu, 4 Sep 2014 20:28:34 +0000

Hi all,

Wondering if this is possible now or in the near future? The situation is that we have MY residues only in Lipid14 and PG residues only in Lipid11. Will PG be forthcoming in Lipid14? I think I there was a comment in the lipid tutorial that the old residues would be moved over as time permits. Can we get some guidance on that?

In the meantime, can we construct "chimera" lipids from the two different lipid forcefields or will Bad Things happen? If that sounds viable to the experts, could I please get a brief outline on a procedure to do that? i.e. can we load both forcefields into LEaP at the same time, or???



Jarrod A. Smith, Ph.D.
Asst. Director, Center for Structural Biology
Research Assoc. Professor, Biochemistry
Vanderbilt University - 5135 MRB III
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Received on Thu Sep 04 2014 - 13:30:02 PDT
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