[gmx-users] (no subject)

[Erik Lindahl]

Hi,

>> V1/2(1+cos(x))+V2/2(1-cos(2x)) + V3/2(1+cos(3x))...
> Yes that's correct, although you could in principle add multiple  
> torsions I think.

Yep, that works fine from 3.2 or so. Just list the four atoms more  
than once, and add as many torsion lines as you want.

Cheers,

Erik

-----------------------------------------------------------
Erik Lindahl  <lindahl at sbc.su.se>     Backup address:  
<erik.lindahl at gmail.com>
Assistant Professor, Computational Structural Biology
Stockholm Bioinformatics Center, Stockholm University, SE 106 91  
Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214