Gadzikano Munyuki wrote:
Hi, i am new to gromacs want to do dynamics on a cyclic polypeptide. The
peptide contains a residue that is not standard.I however have included this
residue in the ffaoplsaa.rtp file as well as the aminoacids.dat file. When i
run pdb2gmx its giving me a fatal error and its saying the residue is not in
the residue topology database.
What could be the problem?
Mis-spelling ffoplsaa.rtp?
Beyond that, we have no chance of guessing your problem with this
information. Please give your command lines, the actual error message
from pdb2gmx, the contents of your insertion into the .rtp file, the
file location of that .rtp, and the value of environment variable GMXLIB.
Mark
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