From: Marc Baaden (baaden_at_smplinux.de)
Date: Thu Oct 19 2006 - 12:29:32 CDT
Mark,
could you elaborate what you mean by "the external ones under PBC are
irrelevant" ? I don't quite understand your statement.
I don't know which application is intended, but eg for forming protein
assemblies, I could imagine that rigid individual proteins might be a
useful first approximation..
..where do I get it wrong?
Marc
>>> Mark Abraham said:
>> Anahita Tafvizi wrote:
>> > I need to treat my protein as a solid object but not fix it. [..]
>>
>> If you're using PBC, it's equivalent. You want internal degrees of
>> freedom fixed, and since the external ones under PBC are irrelevant, you
>> may as well fix them all.
Marc Baaden
-- Dr. Marc Baaden - Institut de Biologie Physico-Chimique, Paris mailto:baaden_at_smplinux.de - http://www.baaden.ibpc.fr FAX: +33 15841 5026 - Tel: +33 15841 5176 ou +33 609 843217
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