David van der Spoel wrote:
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.
What problem? In general, we can't remember the particular problem
you've described previously. You need to describe it again, or provide
links to the archive. Asking busy people for free help and making it
difficult for them to provide it is likely to get you no help.
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!
So work with us, don't make us feel like we're working for you :-)
Mark
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