Hi there,
I want to run a simulation with one molecule described by the GAFF force
field and the other by GLYCAM.
I followed tutorial 4b (
http://ambermd.org/tutorials/basic/tutorial4b/), used
the GAFF molecule where the sustiva was used and the GLYCAM molecule where
the protein was used. I used "combine" to put the two molecules into one
structure and everything went fine. However, just for checking, I did the
same procedure, but only sourced the leaprc.gaff before combining the
molecules and compared the resulting prmtop file with the former one. There
was no difference, meaning in the first case, GAFF was used for both
molecules.
I haven't found a solution online yet, so it would be great if anybody could
help me out.
Cheers,
Josua
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Received on Thu Nov 08 2012 - 08:30:02 PST
