Ragothaman Yennamalli wrote:
Thanks.
I do get LINCS warning all the time. I had removed two
water molecule, that seemed too close to where the
LINCS warning came for. And started the simulation
again from the scratch and it stopped as mentioned in
my previous message.
Yup. Go and fix your equilibration regime (copy something reasonable
from a published paper or a tutorial). A normal simulation should have
no LINCS errors.
Mark
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
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
