[gmx-users] port to Gromacs of recent CHARMM FF changes (C37)
Guilherme Menegon Arantes
garantes at iq.usp.br
Tue Apr 23 20:22:37 CEST 2013
Dear GMX user,
Are you aware of a GROMACS topology implementation of the recent
dihedral corrections to CHARMM22/CMAP given by RB Best et al., JCTC,
2012, 8, 3257-3273?
If this has already been done, would you be kind enough to send me the
updated files?
Best regards,
Guilherme
--
Prof. Dr. Guilherme Menegon Arantes
Instituto de Química
Universidade de São Paulo
Av. Prof. Lineu Prestes, 748
São Paulo 05508-000
Brasil
Fone: 55-11-30913848
http://gaznevada.iq.usp.br/
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