sarbani chattopadhyay wrote:
hi,
I have followed the process as told by Yuguan Mu.But while using the
comman "pdb2gmax"
I get the following error
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
I am not being able to fix this problem.
Well, what have you tried? If you want free help, you'll have to demonstrate
that you're resourceful :)
Read in the manual about file formats. The files that are available online for
download are designed for an older version of Gromacs (3.1.x?), and there have
been some changes to the file format since then. You will have to edit the .tdb
files, at the very least.
-Justin
Thanks in advance
Sarbani
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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