Samuel Silva Pita wrote:
Dear Mr. Spoel,
i'd described before at GMX lists that my topology of FAD was built by hand and using the
atoms adequately for FF G53a6 at GMX 3.3.1. After the addition of atoms , bonds,
constants ,etc. at ffg53a6.atp, ffg53a6.hbd and all others arquives, I proceed to
minimise the energy if my "system". Converting through pdb2gmx I generate my
FAD.gro arquive;I made the configuration of the box -editconf- and made the solvated box,
genbox. Despite it alll the error related at ancient e-mails comes again relating a
problem at Variable ci. Esther -at GMX list- told me that it could be some superposition
of certain atoms and I see that it's truth. But now GMX 3.3.1 does not have any
overlaping atoms and the problem remain. I've tried to do genbox using ancient GMX
versions and the problem remains.
Could you give me some sugestions how to treat this problem? I've to do more
21 topologies at GMX and this problem is boring me!
Sincerely,
Samuel Pita.
"Do not wear yourself out to get rich;do not trust your own cleverness. Cast but a
glance at riches, and they are gone, for they will surely sprout wings and fly off to the
sky like an eagle."(Proverbs 23:4-5)
===========================================
--
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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