Hi everybody,
I try to calculate a protein which has two chains.This chains has sulphide
bridges between eachother.I used -merge in pdb2gmx.I calculated for 20ns.I said
free energy:no.
But I got this error:
Fatal error:
> Too many LINCS warnings (10716) - aborting to avoid logfile runaway.
> This normally happens when your system is not sufficiently
> equilibrated,or if yo
> u are changing lambda too fast in free energy simulations.
> If you know what you are doing you can adjust the lincs warning threshold
> in your mdp file, but normally it is better to fix the problem.
>
I looked at mailing list.Idecided to change delta-lambda=0.00002
Can anyone help me about this?
Thank you
---------------------------------
Ahhh...imagining that irresistible "new car" smell?
Check outnew cars at Yahoo! Autos._______________________________________________
gmx-users mailing list [EMAIL PROTECTED]
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
