On Wed, Jun 06, 2012, Tom Patapoff wrote:
> nmropt=1 / "the gpu version of amber does not support nmropt option"
nmropt support is added in Amber12.
> i have tried to restrain the terminal 3
> residues of each chain but they still drift significantly with time (~
> +/- 5 Angstroms).
Something is wrong. Check the output to make sure that the group input is
being read in correctly.
> Restraint of C-terminal residues
> 250
This is way too large a restraint, especially if you only want weak
restraints. Consider a value about 1000 times smaller.
....dac
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Received on Wed Jun 06 2012 - 19:30:03 PDT
