I am studying WAT-residue interactions. I wonder if it is possible to
write out names of WAT which were in contact (within defined cutoff)
with RESIDUE XY along trajectory. I noticed that CARNAL CUTRES
keyword could be appropriate but it writes out all atoms and i
want only waters.
Look at INH2O and EXH2O in carnal.
Bill Ross
Received on Mon Apr 02 2001 - 09:51:45 PDT