On 8/29/15 10:18 AM, Johnny Lu wrote:
pdb2gmx of gromacs add hydrogen to the molecule.
http://manual.gromacs.org/programs/gmx-pdb2gmx.html
...only if one constructs an associated .hdb entry for the molecule. pdb2gmx
isn't magic.
-Justin
On Sat, Aug 29, 2015 at 9:58 AM, Johnny Lu wrot
Hi.
reduce.exe seems not part of gromacs.
http://kinemage.biochem.duke.edu/software/reduce.php
On Thu, Aug 27, 2015 at 1:59 AM, elham tazikeh
wrote:
> Dear GMX users
> i want to *adding Hydrogens* to my lig.pdb (for making lig.itp file by ATB
> server) in cmd program in Windowds, but i dont kn
Dear GMX users
i want to *adding Hydrogens* to my lig.pdb (for making lig.itp file by ATB
server) in cmd program in Windowds, but i dont know the way of that?
i know the below command is used for that:
reduce.exe -BUILD lig.pdb > lig_h.pdb
but i cant do it in cmd program
i really appricite for any
