[gmx-users] Transition path sampling

[felmerino at uchile.cl]

Hey,

 

You could use the path collective variables included in PLUMED (you have to compile it with gromacs) or maybe if you know an eigenvector that describes the motion you are interested in (from PCA for instance) you could do some floodin through it.

 

best

 

Felipe
----Mensaje original---- De: msanku65 at yahoo.com Fecha: 04-jun-2011 19:42 Para: <gmx-users at gromacs.org> Asunto: [gmx-users] Transition path sampling   -->-->

Hi ,
   I was wondering whether current GROMACS versions can perform transition path sampling to study rare events ?
Sanku




 
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