Maik Goette wrote:
David
I think, I should not contradict to one of the developers, but if your
statement is true:
1. Where, in fact, are the masses coming from (the masses in the amberFF
port can only be found in the atp, as far as I know)?
2. Why does GROMACS complain about missing atoms in the atp-file, if I
add a new atom type to the nb-section?
Just out of curiosity...
Hm, no problems contradicting me at least... I presume you're right.
--
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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