[gmx-users] parameterization of ligand

2009-08-01 Thread subarna thakur 
Hello 
I have received a parameter of a ligand of a protein from the author of an 
earlier published work.The parameter is in param.dat format based on ff43a1 
force field.  Can anybody plz suggest how and where do I put the parameter file 
in the gromacs.I am using gromacs 4.0 version.

Regards
Subarna


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Re: [gmx-users] parameterization of ligand

2009-08-01 Thread Justin A. Lemkul 



subarna thakur wrote:

Hello
I have received a parameter of a ligand of a protein from the author 
of an earlier published work.The parameter is in param.dat format based 
on ff43a1 force field.  Can anybody plz suggest how and where do I put 
the parameter file in the gromacs.I am using gromacs 4.0 version.
 


Chapter 5 of the manual is dedicated to topology format and organization.

-Justin


Regards
Subarna


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--


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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