[gmx-users] adding hydrogens to pdb file

Johnny Lu johnny.lu128 at gmail.com
Sat Aug 29 15:58:12 CEST 2015


reduce.exe seems not part of gromacs.


On Thu, Aug 27, 2015 at 1:59 AM, elham tazikeh <elham.tazikeh at gmail.com>

> 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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