[gmx-users] How to obtain and how to use acpype
Kavyashree M
hmkvsri at gmail.com
Sat Oct 15 11:02:08 CEST 2011
I dont know the details but this link may be useful.
http://code.google.com/p/acpype/
Kavya
On Sat, Oct 15, 2011 at 2:01 PM, leila karami <karami.leila1 at gmail.com>wrote:
> Dear gromacs users
>
> I want to do MD simulation of protein-ligand.
>
> I read a tutorial by John E. Kerrigan "Tutorial for Trypsin-Benzamidine
> complex molecular dynamics study." in which
> they used acpype.
>
> I want to know what is acpype? a program in gromacs or amber or a pythone
> file? please explain about that more.
>
> How to obtain and how to use acpype?
>
> Any help will highly appreciated.
>
>
>
>
>
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