Hi,
I am using *series* keyword to plot h-bonds during my simulation. By
defaults, it stores all hbonds information in the .gnu file.
Is there a way to put a cutoff for the percentage occurrence (say >20%
occurrence) to shorten the .gnu data.
at the moment i m using following command:
hbond :1-541 nointramol out BFq-nhb.dat avgout BFq-avghb.dat series
uuseries bonds.gnu
*Thanks,*
*Hirdesh*
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Oct 05 2016 - 05:30:03 PDT