Re: [gmx-users] md-vv integrator on gromacs 4.5.5

Thank you for your suggestion. I checked the release notes and saw the bug reported in gromacs 4.6. Thanks again, Yao > 在 2016年5月13日，17:51，Justin Lemkul 写道： > > > >> On 5/13/16 5:49 PM, LiYao wrote: >> Hi gromacs users, >> >> I tried to run md-vv along with nose-hoover

Re: [gmx-users] md-vv integrator on gromacs 4.5.5

On 5/13/16 5:49 PM, LiYao wrote: Hi gromacs users, I tried to run md-vv along with nose-hoover thermostat on gromaces 4.5.5 but it resulted in a temperature 300 K higher than the reference temperature. However, I run the same simulation on gromacs 4.6.5 and it worked well. Has anyone

[gmx-users] md-vv integrator on gromacs 4.5.5

Hi gromacs users, I tried to run md-vv along with nose-hoover thermostat on gromaces 4.5.5 but it resulted in a temperature 300 K higher than the reference temperature. However, I run the same simulation on gromacs 4.6.5 and it worked well. Has anyone encountered the same problem? Can I still