subject:"\[gmx\-users\] RE\: ener.edr"

RE: [gmx-users] RE: ener.edr

2010-08-13 Thread Berk Hess

edr files generated with 4.0. Berk > From: vvcha...@gmail.com > Date: Fri, 13 Aug 2010 18:35:34 +0300 > To: g...@hotmail.com; gmx-users@gromacs.org > CC: > Subject: [gmx-users] RE: ener.edr > > Berk, if I need the average values between 0...N, N...2N, etc - what > is the co

[gmx-users] RE: ener.edr

2010-08-13 Thread Vitaly Chaban

Berk, if I need the average values between 0...N, N...2N, etc - what is the convenient way to get them automatically (in energy.xvg)? Thank you, Vitaly >To be more precise, it writes both the current values and >the sum over the >steps >to let g_energy print exact averages. -- gmx-users mailin