AMBER Archive (2003)

Subject: ptraj question

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Tue Jun 24 2003 - 02:59:48 CDT

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