Mark Abraham wrote:
Nicolas Sapay wrote:
As it is not possible to do that in the ffxxxbon.itp file, I was sure
it was the same thing in all other files. But it works perfectly with
my .top files... Thanks!
/headscratch
It should work in the .itp file too, since your .top file is just
including that... The trick here is that if you use the same atom set
and function type, it will over-write any previous occurrence.
Mark
It does *not* work in the e.g. bondtypes.itp, but it does work in any
molecule definition.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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