I am having issue in converting VMD made POPC bi-layer into LEAP compatible lipid. The charmm2amber script seems to have some mixed up of atoms in PC, PL and OL residues. That means some of OL residues got PC atoms or so. Also LEAP complains of C12 atom in OL residue and so.
Is there any way to clean them up so that can be imported into LEAP. Thanks.
Rejwan Ali
PS: In earlier mail there is no subject. So please ignore it.
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Received on Fri Jan 31 2014 - 12:00:03 PST
