On 12/24/18 10:11 AM, Prasanth G, Research Scholar wrote:
Dear all,
One of the proteins of my interest, has a FE2+ in the center and as it
plays a main role in the activity of the protein, it cannot be removed.
Can you please suggest a solution. I have tried with CHARMM and GROMOS,
with no
On 12/23/18 1:15 PM, ZHANG Cheng wrote:
Hi Justin,
I can use the new force field if I put it under the working directory.
You also mentioned that I can put it under $GMXLIB. However, I could not find
it when the ff is put at
Dear all,
One of the proteins of my interest, has a FE2+ in the center and as it
plays a main role in the activity of the protein, it cannot be removed.
Can you please suggest a solution. I have tried with CHARMM and GROMOS,
with no success.
After reading a bit, I understood that, the charges on
Dear Mario,
You can calculate NH order parameter (or any other bond order parameter) by
following method
https://extras.csc.fi/chem/courses/gmx2007/analysis/
However I was curious about gmx chi which was supposed to give dihedral
order parameter.
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