On Wed, Mar 14, 2018, Nikolay N. Kuzmich wrote:
> restraintmask='.{P, OP1, OP2, O5', C5', H5', H5'', C4', H4', O4', C1',
> H1', C3', H3', C2', H2', H2'', O3'', HOP3, OP3}'
Leave out the spaces and the "{","}" characters:
restraintmask='.P,OP1,OP2,O5',C5',H5',H5'',C4',H4',O4',C1',H1',C3',H3',C2',H2',H2'',O3'',HOP3,OP3',
(All on one line).
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 14 2018 - 13:30:03 PDT
