Re: [gmx-users] how to do remd with different tabulated potentials

Hi, for Hamiltonian RepEx you need to formulate the different states as a function of lambda. Look at the free energy documentation to see how to describe different tables for different lambdas. Roland 2011/11/8 杜波 <2008d...@gmail.com> > dear teacher, > > if i want to do remd with different

Re: [gmx-users] how to do remd with different tabulated potentials

On 8/11/2011 11:23 PM, ?? wrote: dear teacher, if i want to do remd with different tabulated potentials. how can i use the mdrun's -table (-table table.xvg -tableb table.xvg )? if it can also use like that,there is another question: and how can i rename the tables name ( table_CR1_CR1: i ren

[gmx-users] how to do remd with different tabulated potentials

dear teacher, if i want to do remd with different tabulated potentials. how can i use the mdrun's -table (-table table.xvg -tableb table.xvg )? if it can also use like that,there is another question: and how can i rename the tables name ( table_CR1_CR1: i rename them table_CR1_CR10,table_CR1_C