Hi,
I am trying to run gromacs using CHARMM force field. I downloaded
"charmm_gromacs.tar.gz" file and I followed the instruction, that housed
in "readme-charmmed-gromacs". I runned the command:
pdb2gmx -ter -f <filename.pdb> -o <filename.gro> -p <filename.top>, using
as input file the *.gro file of the example, but the following error
message is coming:
"Program pdb2gmx, VERSION 3.3.1
Source code file: ter_db.c, line: 85
Fatal error:
Reading Termini Database: expected 3 items of atom data in stead of 1 on
line
N NH3 14.0027 -0.3000"
Thank you for reply.
Velia
--
Velia Minicozzi, Physics Dept., University of Rome Tor Vergata
Via della Ricerca Scientifica, 1 - 00133 Roma
tel: +39 0672594554 - fax: +39 06 2023507
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