[gmx-users] assembly loop and the C code

[justkewlguy at yahoo.com]

Hi,
 
I want to modify non-bonded interactions and for that I need to disable assembly loops and use the C code (innerc.c) instead.  I have done this successfully, however, the C code is significantly slower as compared to assembly loop and I guess its mainly due to water-water interactions. 
 
Is there any way to selectively disable assembly loops only for solute-solute and solute-water interactions but still use the fast water-water assembly loops ? 
 
Thanks in advance.
 
Manoj

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