Dear GMX-users, I'm doing normal mode analysis for one molecule and found the calculated electrostatic energy (at t=0) doesn't change at all regardless of the value for fudgeQQ. (I used "1 1 yes 0.5 0.83333" for [default] and "molecule 2" for [moleculetype].) If I use "molecule 3", the value will change but is still independent of fudgeQQ.
Any idea what the problem is? I'll be happy to send you the input files if you need them. Thanks a lot! Lianqing _______________________________________________ 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
