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 properties!
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 -- Peyman Yamin Lehrstuhl fuer Thermische Verfahrenstechnik Universitaet Erlangen-Nuernberg Egerlandstr. 3 91058 Erlangen Phone: +49(0) - 9131 - 85 27671 Mailto: [EMAIL PROTECTED] _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
