Hi,
On Apr 11, 2007, at 7:26 AM, Priya Chandran wrote:
2. Is minimisation in GROMACS only used as a precursor to the md-
simulation to remove bad contacts, or can we also use it
effectively to minimize a raw modelled ab-initio structure.?
Well, technically you can of course use it, but any
Priya Chandran wrote:
Hello,
I am a beginner in GROMACS and I am using GROMACS to analyse the
solution structure of protein in water after initial homology/abinitio
modelling. I have already run a search on the gmx_users list for my
queries. There are a few basic questions i would like to ask.
Hello,
I am a beginner in GROMACS and I am using GROMACS to analyse the solution
structure of protein in water after initial homology/abinitio modelling. I
have already run a search on the gmx_users list for my queries. There are a
few basic questions i would like to ask.
1. In the md integrator
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