Hi,
I noticed several comments on problems with POPE in vacuum. I haven't
made POPE systems in quite a while, but perhaps it would be an idea to
temporarily set the charge of the H-atoms on the NH3+ group to zero, or
add exclusions between the H atoms and the phosphate oxygens. I haven't
tried this with inflategro but setting the charges to 0 did help with
manipulating POPE lipids when I worked on OmpF. Just don't forget to
revert to the original itp file for real work.
Peter
_______________________________________________
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