And again I will support myself :-)
So, as I learnt so far, for this effect the topology
file is responsible.
In the included force fields the described LJ 1-4
parameters does not correspond to the LJ
parameters of the OW OW interaction of the
lipid.itp which gets included after these force
fields, I guess... and thus it gets exchanged after
all....
mark
[EMAIL PROTECTED] wrote:
Hello.
I am a gmx-newcomer and I try to start simulating
bilayer membrane systems for which I need to include
the lipid.itp of Thieleman into my .top-file.
After processing grompp I get one WARNING concerning
the lipid.itp...
WARNING 1 [file "lipid.itp", line 703]:
Overriding LJ-14 parameters,
old: 0.0026171 7.4158e-07 0 0
new: OW OW 1 3.31400e-04 3.36000e-07
Could someone please explain, why this happens?
So, LJ is the Lennard-Jones parameter, but why
gmx has to change it, and why this is necessary
only for line 703 again and again??
Thanx for your help in advance.
newcomer 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
