Hello All,
First, for this question I am referring to GROMACS 3.3.3. I have thoroughly
read the archives for errors on why a simulation box might explode. My
simulations require that I bring the N and C terminal ends of a ~20 amino acid
peptide as close together as possible. To do this, I am us
I would like to thank everyone for their help. Several individuals responded
to my initial post.
The consensus seemed to be to use distance restraints. My question is, because
distance restraints
creates penalties if the distance between two atoms EXCEEDS UPPER BOUNDS,
wouldn't that apply more fo
VENKATESH HARIHARAN wrote:
Hello All,
First, for this question I am referring to GROMACS 3.3.3. I have
thoroughly read the archives for errors on why a simulation box might
explode. My simulations require that I bring the N and C terminal ends
of a ~20 amino acid peptide as close together
VENKATESH HARIHARAN wrote:
Hello All,
First, for this question I am referring to GROMACS 3.3.3. I have
thoroughly read the archives for errors on why a simulation box might
explode. My simulations require that I bring the N and C terminal ends
of a ~20 amino acid peptide as close together a
VENKATESH HARIHARAN wrote:
I would like to thank everyone for their help. Several individuals responded
to my initial post.
The consensus seemed to be to use distance restraints.
My question is, because distance restraints
creates penalties if the
distance between two atoms EXCEEDS UPPER BOUND
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