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 <[email protected]>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. > > > > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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