Re: [gmx-users] Thermostat for REMD simulations in implicit solvent

Hi! Have never tried remd with implicit solvent, but note that the unit of tau-t in the mdp-file is ps, not ps-1. This means you should set tau-t = 0.0109 rather than 91. Try this and see if the problem goes away! /Per 26 nov 2010 kl. 15:55 skrev César Ávila clav...@gmail.com: Dear all,

Re: [gmx-users] Thermostat for REMD simulations in implicit solvent

I also noticed this error on my setup, so I changed tau-t to 0.1, which is commonly found on others setup. tau-t = 0.0109 seems too low. 2010/11/26 Per Larsson per.lars...@sbc.su.se Hi! Have never tried remd with implicit solvent, but note that the unit of tau-t in the mdp-file is ps, not