Dear gromacs user:
Recently, I am trying to implement Replica Exchange with Solute Tempering in
GROMACS following the way proposed by tsuyoshi terakawa(On easy
implementation of a variant of the replica exchange with solute tempering
in GROMACS, J Comput Chem. 2011 May).I have searched in the
Hi all,
I am trying to run REST in GROMACS following the way proposed by tsuyoshi
terakawa. In their method,they implemented REST by rescaling the force-field
parameters without even changing the code. I have also searched in the mailing
list and found that we can manipulate the scale parameter
Hi all,
I am trying to run REST in GROMACS following the way proposed by tsuyoshi
terakawa. In their method,they implemented REST by rescaling the force-field
parameters without even changing the code. I have also searched in the mailing
list and found that we can manipulate the scale parameter