Dear Amber !
I would like to find the hydrogen bond between two residues for example
between 1 and 2 , I gave the ptraj scripts as below
trajin test1.mdcrd
hbond HB :1-2 out 12DF_nhb.dat avgout nointramol 12DF_avghb.dat series
run
runanalysis lifetime HB[solutehb] out 12DF_lifehb.dat
But this also gave the hydrogen bond within the same residue , to avoid
this how to give the keywords , I also tried nointramol but not worked out.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Oct 07 2015 - 18:30:03 PDT
