[gmx-users] C36 cyclopropanated lipids in Gromacs

Ariel Leong ariel.leongsw at gmail.com
Wed Jun 11 11:14:51 CEST 2014


I'm interested to simulate lipids with cyclopropanated chains with Gromacs.
The C36 parameters for the lipids have been publicly provided by Klauda et
al. in CHARMM str format. I've looked at the C36 force field for Gromacs
and it seems that they were not included in the package.

I was wondering of charmm2gromacs-pvm.py might do the trick converting the
parameter into Gromacs compatible formats or if there are other more
suitable methods of doing it?

Best regards,
Leong Siew Wen

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