[gmx-users] binding sites with MD
mrshirts at gmail.com
Sat May 24 23:01:42 CEST 2014
Vmd can convert trajectories, as can other tools. Google is your friend!
Sent from my iPhone
> On May 24, 2014, at 15:13, Albert <mailmd2011 at gmail.com> wrote:
> this plug-in looks interesting.
> However, as far as I saw from the tutorial that even we run simulation from Gromacs, this plugin can only import NAMD psf and DCD to analysis. That's a headache issue. Can you improve this vmd plugin so that it can also read Gromacs format files directly?
>> On 05/24/2014 07:02 PM, Tom Dodson wrote:
>> You might be interested in this tool:http://prody.csb.pitt.edu/drugui/
>> Here are slide from a talk about the method:
>> And here is a tutorial:
>> I am sure that you could use GROMACS to do the simulated annealing step
>> instead of NAMD.
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