[gmx-users] How to specify conection between 2 molecule in the top file?
Mark.Abraham at anu.edu.au
Sun Apr 6 16:37:16 CEST 2008
Frankie Montenegro wrote:
> Would you be kind to clearify the second part of may question? Namely,
> could "+" and "-" signs, mentioned in the manual and used in the rtp
> files be helpfull to me
> in this case?
They allow you to create bonded interactions between atoms belonging to
different parts of molecules as defined in the .rtp file. So you could
use them to make bonds between your fragments. You'll need a through
understanding of parts of chapter 5 of the manual.
There's probably a much easier way to do whatever it is you're trying to do.
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