[gmx-users] position restrain energy in stochastic dynamics

[F.Hao at chem.rug.nl]

Hi, all:
	I want to run prosition restrained sd with a protein molecule.
What I did is:
	grompp -f prsd.mdp -c em.gro -r em.gro -p protein.top -o topol.tpr
In the prsd.mdp, I used "define = -DPOSRE". So I think I should have
included the posre.itp file. But I could not find related information
in topol.tpr file by gmxdump. If I use this topol.tpr for mdrun, there was
no position restrain energy term output with g_energy. Does this mean I
have done anything wrong or the energy term of position restrain is
built-in with others? Thanks a lot in advance!

Best regards

Yours sincerely

Hao Fan :-)

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Drs. Hao Fan                            email F.Hao at chem.rug.nl
Lab. of Biophysical Chemistry
University of Groningen
Nijenborgh 4                            9747 AG GRONINGEN
The Netherlands
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