From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Thu Oct 05 2006 - 15:18:57 CDT
TclForces just adds forces, it doesn't modify vdW or other interactions.
It's documented in the User's Guide.
I don't understand your question about semirigid conformation states.
On Tue, 26 Sep 2006, luca wrote:
> Thank You, Jim
> I have some question:
> When I apply "tclforce" in atoms that not are bonded, how is vdw interaction
> Can I model a semirigid conformation state, like transition state or metal
> complex with TclForce method?
> Are there documetion for it
> Thanks in advance
>> NAMD takes bonds seriously, since they are used to derive exclusions.
>> Your best option is to implement that H-O restraint in TclForces.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:03 CST