2006/12/7, [EMAIL PROTECTED] <[EMAIL PROTECTED]>:
By the way, why are you using the combination of genpairs=yes fudgeLJ=0.5 and fudgeQQ=0.8333 ? This is not a valid combination for any force field that comes in the standard gromacs distribution.
Hi, I am puzzled about this. In your opinion, when I use genpairs=no, fudgeLJ= 0.5 and fudgeQQ=0.8333, are these scaling factors, 0.5 and 0.8333, useful? On the other hand, when using genpairs=yes, how to set the scaling factor of fudgeLJ and fudgeQQ?$
_______________________________________________ gmx-users mailing list [email protected] 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
