[gmx-users] special molecule
hotafin at gmail.com
Mon Jun 12 15:48:34 CEST 2006
As I understand, if there are "special" molecules in a pdb file, pdb2gmx
cannot convert it. However, PRODRG can create an *.itp file for that
molecule, so that I can include it in the generated topology file. But how
can I place the molecule in it's original position? Or even better, how can
I convert the original ("full") .pdb file for gromacs?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users