Stacey Meadley wrote:
Hi,
I am using pdb2gmx with amber ff and there is a problem adding the H
atom to the second residue of both chains of my protein? The residue
at that location is repeated in later in the chain and has no problem
with the hydrogens so I don't understand why it gives me the error?
Can you post some more complete information? For example:
1. Your Gromacs version
2. Your exact command line
3. The error message you receive (copy and paste, please)
4. A snippet of your coordinate file containing the first two or three residues
(for testing purposes)
-Justin
I relatively new to this and this is the first time I'm using amber ff
in gromacs so thanks for all the previous posts which help me quite a
bit so far.
Stacey
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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