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Published 20 hours ago • verified publisher icon owenvickery

Converting to oplsaa

Open lxp974 opened this issue 2 years ago • 2 comments

Hi Owen,

CG2AT is having a bit of trouble trying to find information for residue CYS when trying to convert to -ff oplsaa -fg martini_2-2_charmm36. I believe it may be to do with the oplsaa.ff/aminoacids.rtp file which has defined residues CYSH and CYS2 but not CYS. It also had an issue locating DA too ...

Many thanks for all your help!

Best,

Linda

lxp974 avatar Nov 16 '21 14:11 lxp974