Anthony Cruz wrote:
Hi Users:
In my topology before all the bonded information I add the following lines
with the appropiate numbers:
[ dummies2 ]
;Dummy from funct a
CON ND OE 1 0.064381
[ constraint ]
; ai aj funct b0
ND OE 2 0.12032
The problem is that the dummy colapse with the ND atom during the EM. What
could be the problem? I need to add the dummies2 section in my topology if
it is present in the residue topology and it is present in my pdb???
Does it work without the constraint?
Mark
_______________________________________________
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
