/home/nfonseca/VMF_experiencia_equi_restrained/ti
Em Thu, 28 Jul 2005 06:53:45 -0400
Carlos Simmerling <carlos.ilion.bio.sunysb.edu>
escreveu:
> This is known for TIP3P water. You might want to go read
>the original
> papers on that water model, and also check the archives
>for more details.
>
> Linchen Gong wrote:
>
>>Hello, Thomas
>>In your reply, you mentioned that energies should be
>>reasonable. I wonder that what is reasonable. When I run
>>a simulation of a 200 residues protein in explicit water,
>>the vdw energy is positive and is about 9000. Whereas the
>>trajectory seems correct. Is the vdw too big or
>>reasonable? Is there any hidden error?
>>Thanks a lot
>>best regards
>>Linchen Gong
>>
>>______________________________________
>>Linchen Gong
>>basic science class
>>math and physics oriented
>>Department of physics
>>Tsinghua University
>>
>
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Received on Thu Jul 28 2005 - 12:53:00 PDT
