[gmx-users] analysis of different groups with g_energy

Peyman Yamin Peyman.Yamin at cbi.uni-erlangen.de
Mon Jun 9 16:06:13 CEST 2008

Dear Gromacs users,

I'm simulating dilute solutions of different surfactants in different media. 
All I want to analyse afterwards, though, is the single surfactant molecule 

Is there any way to extract energy data from the original .edr file with 
respect to a single group, in the same way as one can extract structures from 
an .xdr with trjconvm?
Is there any way to use g_energy to different groups? as I see I can only have 
some of the properties in a group-specified way - like T! I'm not asked in 
which group i'm interested and neither I can specify it at command-line, that 
I want, say total-energy of group G!

Thanks in advance,

Best regards

Peyman Yamin
Lehrstuhl fuer Thermische Verfahrenstechnik
Universitaet Erlangen-Nuernberg
Egerlandstr. 3
91058 Erlangen
Phone: +49(0) - 9131 - 85 27671
Mailto: peyman.yamin at cbi.uni-erlangen.de

More information about the gromacs.org_gmx-users mailing list