Re: [gmx-users] In vacuo MD

stead of 0. To me that should be the same, but is there any reason why I should not do that? Linus ___ Dr Linus Johannissen Computational Chemistry Experimental Officer Manchester Institute of Biotechnology University of Manchester UK ___

[gmx-users] In vacuo MD

no; no pressure coupling in NVT ; Dispersion correction ; Velocity generation gen_vel = yes ; assign velocities from Maxwell distribution gen_temp= 300 ; temperature for Maxwell distribution gen_seed= -1; generate a random seed ___ Dr Li