Hello.
I have run MD calculations using AMBER7 on a solvated metal cation (one
metal cation + ~400 waters). If I try to use ptraj (ie. for action =
radial) with the parameter file from AMBER7, it gives the message "ERROR in
readParm: ...failed to find ANGLES_INC_HYDROGEN". However, if I create a
parameter file for the same system using AMBER6, and then run ptraj with
that parm file on either AMBER6 or AMBER7 there is no problem, and ptraj
proceeds nicely.
Any Comments?
Thanks,
Jim Snyder
Received on Sun Jun 09 2002 - 17:45:03 PDT
