[gmx-users] cycloalkanic CH2-group

Isabella Daidone i.daidone at caspur.it
Thu Jan 19 18:28:33 CET 2006


I found this new atom type in  gromacs version 3.3 (file ffG45a3.atp):

CH2r  14.02700 ;     cycloalkanic CH2-group    ref. 1

Do you recommend to use this new type for 3 CH2 groups that are in a ring 
of 6 atoms, of which one is a  Nytrogen?
Can anybody tell me where I can find ref. 1?


More information about the gromacs.org_gmx-users mailing list