Hi amber users,
I am trying to do a radial distribution function calculation using ptraj
on a trajectory (charmm type) generated in NAMD).
Here is my input file:
trajin NPT_diff.dcd 1 10001 500
radial rdf_SPM 0.05 8.0 :SPM
go
I use ptraj file.prmtop ptraj.in
then the program stops because of the following error:
ERROR in readParm:....failed to find ANGLES_INC_HYDROGEN
I've checked in my prmtop file and there are hydrogen numbers defined
under the ANGLES_INC_HYDROGEN FLAG.
Any suggestion as to where to look to fix the problem?
Thank you,
Ioana
Received on Tue Jun 24 2003 - 09:53:00 PDT
