[gmx-users] RE: About the binary identical results by restarting from the checkpoint file

Hi Mark, Sorry for my carelessness. I check my email again and see your reply. I get your point that my problem may be (at least part of) caused by RNG of the thermostat. Thanks again and sorry for my careless bothering. Cheers, Cuiying > On Fri, Jun 14, 2013 at 12:52 AM, Cuiying Jia

Re: [gmx-users] RE: About the binary identical results by restarting from the checkpoint file

On Fri, Jun 14, 2013 at 12:52 AM, Cuiying Jian wrote: > Hi GROMACS Users, > > I am sorry if you are bothered by my second post about this topic. But the > fact is that I tested restarting simulations with .cpt files by GROMACS > 4.6.1. and I still cannot get binary identical results from restarte

[gmx-users] RE: About the binary identical results by restarting from the checkpoint file

Hi GROMACS Users, I am sorry if you are bothered by my second post about this topic. But the fact is that I tested restarting simulations with .cpt files by GROMACS 4.6.1. and I still cannot get binary identical results from restarted simulations with those from continuous simulations. The co

Re: [gmx-users] RE: About the binary identical results by restarting from the checkpoint file

On Mon, Jun 3, 2013 at 6:59 PM, Cuiying Jian wrote: > Hi Mark, > > Thanks for your reply. I tested restarting simulations with .cpt files by > GROMACS 4.6.1. and the problems are still there, i.e. I cannot get binary > identical results from restarted simulations with those from continuous > simu

[gmx-users] RE: About the binary identical results by restarting from the checkpoint file

Hi Mark, Thanks for your reply. I tested restarting simulations with .cpt files by GROMACS 4.6.1. and the problems are still there, i.e. I cannot get binary identical results from restarted simulations with those from continuous simulations. The command I used for restarting is as the followi