Dear all,
I am now calculating an artificial metal peptide, which contains
Boc (tert-butoxycarbonyl) and OPac (phenacylester) at the N-
and C-termini, as well as a metal ion, by using AMBER9.
However, AMBER9, which is installed into the UNIX server of my
university, Tokyo University of Science, does not recognize the topology
file that was generated by the LEaP of AMBER6.
I guess the problem comes from the protecting groups that are not
contained in the residue data base file and force field of AMBER9.
Is it possible to add the above data to the residue data file.
With regards,
Daisuke
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Received on Fri Feb 19 2010 - 02:30:07 PST
