[gmx-users] dna-drug simulations
jalemkul at vt.edu
Sat Jan 26 14:13:02 CET 2013
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users