[gmx-users] adding hydrogens to pdb file
johnny.lu128 at gmail.com
Sat Aug 29 16:18:56 CEST 2015
pdb2gmx of gromacs add hydrogen to the molecule.
On Sat, Aug 29, 2015 at 9:58 AM, Johnny Lu <johnny.lu128 at gmail.com> wrote:
> 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
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