henrik at physc.su.se
Fri Apr 30 14:39:01 CEST 2004
I am doing a simulation on a cyclic peptide, with unusual a.a's. They
are included in the *.rtp file, and in aminoacids.dat a.s.o
But when I run grompp it will not report them to be a part of the
protein.. Only the "regular" residues are included as PROTEIN residues,
the rest to OTHER residues... WHY?
WILL this cause me any problems when I analyze the results later (or
force me to make index files manually), because I can't see any proplems
running the simulation. I test ran it for a while, and it seemed ok.
I have searched the mailing list, not found a satisfying answer for this.
Division of Physical Chemistry
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E-mail: Henrik at physc.su.se
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