hi, please post further questions to the gromacs mailing list, i have forwarded to it.
On Sunday, 28. January 2007 09:26, you wrote: > Hallo Dear florian > > mein name ist kourosh bamdad und ich bin student, ich studire biophysik > (Ph.D.) in Iran. ich habe zwei fragen bitte: > 1) how can i explaine "pH" into my system ( consisting protein & Na+ ions > ) under gromacs? i'd like to reach to pH ~ 4.5 or 5 in my system. 2) is it > possible to introduce any kind of "free radicals" to a system consisting > protein and solvent? i am trying to introduce some OH- radicals into my > protein (which is related to aging phenomena) and seek every kind of > stractural changes that occurred on the protein structure after some ns > whithout any covalent bond breaking or formation as the first events in > every chemical reactions! how can i do that? > > Thanks alot > > > --------------------------------- > 8:00? 8:25? 8:40? Find a flick in no time > with theYahoo! Search movie showtime shortcut. -- ------------------------------------------------------------------------------- Florian Haberl Computer-Chemie-Centrum Universitaet Erlangen/ Nuernberg Naegelsbachstr 25 D-91052 Erlangen Telephone: +49(0) − 9131 − 85 26581 Mailto: florian.haberl AT chemie.uni-erlangen.de ------------------------------------------------------------------------------- _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
