[gmx-users] Re: Variable ci yet-Samuel's problem!

Mark Abraham Mark.Abraham at anu.edu.au
Tue Aug 15 09:38:28 CEST 2006

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 :-)


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