[gmx-users] Extracting potential energy of protein units

2010-10-14 Thread Jyoti Mahalik 
Using g_energy I can extract the energy of the whole system. But I  
want to extract the energy (potential energy) of the protein units in  
my system. Is it possible to do it in GROMACS or any other application?

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Re: [gmx-users] Extracting potential energy of protein units

2010-10-14 Thread David van der Spoel 

On 2010-10-14 21.51, Jyoti Mahalik wrote:

Using g_energy I can extract the energy of the whole system. But I want
to extract the energy (potential energy) of the protein units in my
system. Is it possible to do it in GROMACS or any other application?

How would you define that?

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David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell  Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205.
sp...@xray.bmc.uu.sehttp://folding.bmc.uu.se
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