On 7/23/12 2:47 PM, Debashis Sahu wrote:
Dear all user,
I'm a gromacs beginner and have a quick question.
Can anyone tell me about the .hdb file description, e.g. '8' indictes
no.of kind of hydrogen, ARG is residue name, after that 1st column
indicates the no. of hydrogens for each type but 2nd column's
indication is not clear to me. And also which basis the atom type are
mentioned in .hdb file. Here, I given the part of .hdb file for ARG
residue.
Please help me
Have you read manual section 5.6.4? The answers to all of these questions are
there.
-Justin
ARG 8
1 1 H N -C CA
1 5 HA CA N C CB
2 6 HB CB CG CA
2 6 HG CG CD CB
2 6 HD CD NE CG
1 1 HE NE CD CZ
2 3 HH1 NH1 CZ NE
2 3 HH2 NH2 CZ NE
DEBASHIS
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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