AMBER: Ptraj: reading PDB files

From: Austin B. Yongye <>
Date: Wed, 6 Jun 2007 17:37:31 -0400 (EDT)

Hi everyone,
When I try to read in a PDB file with this Ptraj script:

trajin ggg_avg.pdb
dihedral d1 :1.H2 :1.C1 :1.C2 :2.H4 out h2c1c2h4.out

I get a segmentation fault error message:
Checking coordinates: ggg_avg.pdb
Segmentation fault

Please any suggestions on how one can read in PDB files using Ptraj?

Austin B. Yongye
Complex Carbohydrate Research Center,
University of Georgia,
315 Riverbend Road,
Athens, GA 30602.
Phone: 706 542 0263

"...then, we learn better in a free spirit of curiosity, than under fear
and compulsion..." -St. Augustine of Hippo
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Jun 10 2007 - 06:07:16 PDT
Custom Search