[gmx-users] CR atom name CHARMM27 ff

Sergio Manzetti sergio.manzetti at fjordforsk.no
Wed Oct 4 13:38:11 CEST 2017


Hi , I have tried to convert the mol2 to ITP by protparam.org, and apparently it works, nevertheless it gives a CR atom for alkane carbons. This CR is not in the charm27 ff atomtypes. What is the correct name for this? 

Thanks 

Sergio Manzetti 

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