[gmx-developers] RTP and RES block names
alexxy at omrb.pnpi.spb.ru
Mon Feb 11 17:44:02 CET 2013
Is there a reson why resnames and rtp block names arent case sensetive?
Actualy I plan to add glycam06.ff port to gromacs. It has about ~1300 rtp
blocks that are case sensetive.
PS also is there a way to add support for multiple fudge values for
forcefields? Amber ones usualy has fudgeLJ = 0.5 and fudgeQQ = 0.8333, while
glycam has fudgeQQ = 1 and fudgeLJ = 1
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
Gentoo Linux Dev
mailto:alexxyum at gmail.com
mailto:alexxy at gentoo.org
mailto:alexxy at omrb.pnpi.spb.ru
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