Dear Xueqin Pang,
I have been working on some scripts (derived from the original
Amber ones) to carry out mm-pbsa analysis with Gromacs. At the present
stage (sort of beta-testing) these scripts are not yet publicly available.
Anybody interested can contact me directly for more details.
Sincerely,
Marc Baaden
http://www.baaden.ibpc.fr
>>> xueqin pang said:
>> Hello everyone,
>> Since AMBER may not be suitable for molecular dynamics of protein in lipide
>> membrane, I want to know if we can=C2=A0use GROMACS or NAMD for MD, and th
>> en use MM-PBSA to culculate binding energy
>> Thanks very much
--
Dr. Marc Baaden - Institut de Biologie Physico-Chimique, Paris
mailto:baaden.smplinux.de - http://www.baaden.ibpc.fr
FAX: +33 15841 5026 - Tel: +33 15841 5176 ou +33 609 843217
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Received on Wed Jun 03 2009 - 01:12:08 PDT
