AMBER Archive (2007)

Subject: AMBER: Ptraj: reading PDB files

From: Austin B. Yongye (ayongye_at_chem.uga.edu)
Date: Wed Jun 06 2007 - 16:37:31 CDT

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

trajin ggg_avg.pdb
dihedral d1 :1_at_H2 :1_at_C1 :1_at_C2 :2_at_H4 out h2c1c2h4.out
go

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?
Thanks,

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
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