[gmx-users] How to specify conection between 2 molecule in the top file?

Mark Abraham 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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