[gmx-users] pdb2gmx omit residue
Derrick Guang Yuh Lee
k24dgyl at mun.ca
Thu Jul 15 10:16:06 CEST 2004
unless i'm mistaken, a quick way is simply using "editconf":
editconf -f INPUT.pdb -o OUTPUT.gro
faculty of Science
Memorial University of Newfoundland
k24dgyl at mun.ca / derrickglee at hotmail.com
"a teacher is never a giver of truth - he is a guide, a pointer to the
truth that each student must find for himself. a good teacher is merely a
- bruce lee
On Wed, 14 Jul 2004, Gary wrote:
> Hi All,
> Is there a way to force pdb2gmx not to look at the
> residue and generate a .gro file... or an alternative
> way of generating a .gro file from a .pdb (other than
> PRODRG). Thank you.
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