Re: Protein-ligand affinity

From: James Starlight (jmsstarlight_at_gmail.com)
Date: Wed Oct 16 2013 - 14:42:42 CDT

Have someone completed such MM/PBSA tutorial with step-by-step guide using
NAMD input/outputs?
Besides Amber I've seen CHARMM tutorial
http://www.stfc.ac.uk/cse/25247.aspx
but I'm not sure if it compatible with NAMD.

James

2013/10/16 Kenno Vanommeslaeghe <kvanomme_at_rx.umaryland.edu>

> On 10/15/2013 04:05 PM, James Starlight wrote:
>
>> Now I should find some MM/PBSA tutorials suitable for NAMD/Gromacs
>> trajectories inputs .
>>
>
> Yes, you should.
>
>

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