On 1/26/13 4:18 AM, amna khan wrote:
hi, all ,
i want to simulate dna with ligand/drug
i am getting error in generating he topology for dna .
We can't help you unless you show us what the error is and provide (at the very
least) your exact pdb2gmx command.
I'm unable to do using the pdb2gmx with any of the force fields. Could
anyone please tell if I can get any tutorial for the DNA-drug simulation.
Exercise Google here. If it exists, you should be able to find it by searching
or visiting gromacs.org.
or which forcefield should i use ?
What does your analysis of the literature suggest would be the best choice?
-Justin
--
========================================
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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