sreelakshmi ramesh wrote:
Dear all,
I wanted to simulate Nacl in water using huggins meyer
potential as vdw type.since gromacs has just LJ OR BJ potential i wanted
to know if somebody had done it with huggins meyer potential.I read the
manual and since i am not good in c or fortran i dono how to create a
user defined potential as well.can anybody help me out with this issue.
To define a tabulated potential, first consult the manual, section 6.7, then try
out the how-to guide on the wiki:
http://www.gromacs.org/Documentation/How-tos/Tabulated_Potentials
Then, if you're still having trouble, please post a specific question. Saying
you don't know how to do something does not typically inspire anyone to teach
you, especially when there are ample resources available.
-Justin
thanks in advance.
sree.
--
========================================
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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