[gmx-users] adding hydrogens to pdb file

[Johnny Lu]

pdb2gmx of gromacs add hydrogen to the molecule.
http://manual.gromacs.org/programs/gmx-pdb2gmx.html


On Sat, Aug 29, 2015 at 9:58 AM, Johnny Lu <johnny.lu128 at gmail.com> wrote:

> 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 <elham.tazikeh at gmail.com>
> 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 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 help
>> elham
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>
>