I'm new to cpptraj and therefore this may be trivial.
I'm using
cpptraj prmtop hbond.in
whereby hbond.in is:
trajin mdcrd
hbond out hbond.dat :142 avgout avg.da
It results in two files as expected but no hbonds are shown.
Using ptraj and the same mask I get hbonds with occupancy > 80%
If there's something wrong with the cpptraj syntax, I would be most grateful for your suggestions
Regards
George
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Mar 26 2012 - 07:30:03 PDT
