[gmx-users] crystallographic water to tip4p model
pavkudr at gmail.com
Tue May 18 12:52:40 CEST 2010
I wanna keep crystallographic water with tip4p model for md simulation but
when I use pdb2gmx even if I set "-water tip4p" it protonates oxygens to spc
water model instead.
Is there any way to replace spc water molecules with tip4p water molecules
in the same orientation?
Btw what happen if I'll keep 2 types of water models in one simulation?
thanks in advance.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users