Thanks Justin for your reply.
What I actually did, I edited the .atp file by hand as follows-
OWT3 15.99940 ; TIP3P WATER OXYGEN
HW 1.00800 ; WATER HYDROGEN
and I added those lines in the [atomtypes] section of ffnonbonded.itp file-
OWT3 8 0.000 0.000 A 0.24889e-02 0.24352e-05
HW 1 0.000 0.000 A 0.00000e +00 0.00000
Is it not possible to do work with tip3p water model with gromos 53a6 force
field?
--
View this message in context:
http://gromacs.5086.x6.nabble.com/Atomtype-OWT3-not-found-during-EM-step-tp5009528p5009661.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
