Hi dear friends, I performed a molecular dynamics of a ligand-receptor complex for 5ns; but I found that my complex always fall out from the water box quickly in the first 1ns. What may be the problem? Can I constrain some residues which are far away from the active site to aviod this problem? But I am worry about the extra constrain would interfere my MD result, for in the normal situation there should be no constrains.
Thanks. -- Shanjie Huang [EMAIL PROTECTED] -- http://www.fastmail.fm - A no graphics, no pop-ups email service _______________________________________________ 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
