On Tue, Feb 01, 2011, Adrian Roitberg wrote:
> > Using this file may i creat urea molecule? or prep file needed?
A prep file is also needed.
> > whem i put flowing command in
> > xleap -f leaprc.ff03
Note: you must(?) be using a outdated version of AmberTools. You should
update, and use leaprc.ff03.r1 (*not* leaprc.ff03)
> > UMY=loadamberparams frcmod.urea
> >
> > it give at the end
> > UNKNOWN KEYWORD:in the parameter file
I can't reproduce this problem...works fine for me (but of course be sure
to fix the problem pointed out by Dr. Roitberg.) What version of Amber are
you using?
...dac
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Received on Tue Feb 01 2011 - 09:30:11 PST
