Re: [gmx-users] restraint-lambdas for position restraints in hamiltonian exchange

2013-08-03 Thread Michael Shirts
Short answer is anything that has a B state parameter can be included in in Hamiltonian exchange. If it's pull code or explicit restraints, it's controlled by restraint lambda. > I went through the manual and couldn't find any definite answers to the > following questions. > > First, I wonder if

[gmx-users] restraint-lambdas for position restraints in hamiltonian exchange

2013-08-02 Thread Dejun Lin
Hi all, I went through the manual and couldn't find any definite answers to the following questions. First, I wonder if the reference positions of position restraints, not just the force constants, of different replicas are exchanged in hamiltonian exchange based on restraint-lambdas? For example