[gmx-users] multiple T-Coupling

best alep prism_dead at yahoo.com
Mon Mar 12 07:09:58 CET 2007


Good Day to all GROMACS users,

Firstly thanks to Martin for replying my mail. I have another problem, actually I'm a new student and a new user of this software. 
When i use grompp, there's error message like this:
"Fatal error:
Atom 1 in multiple T-Coupling groups (1 and 2)"
What's the meaning of this error? is it related to my residue database?  because i modified the residue database (*.rtp) to include mine. Can anyone help me? What should i do and where should i look?
Thanks a lot,..
GROMACS is interesting...:)




 
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