On 9/28/13 9:41 PM, Abu Naser wrote:
Hi all users,
Is it possible to add hydrogens to some of the selected atoms in the system
using pdb2gmx?
pdb2gmx is a rather complex way to do it. g_protonate is the tool for adding
hydrogens to a configuration, but note it can only handle PDB files at
Hi all users,
Is it possible to add hydrogens to some of the selected atoms in the system
using pdb2gmx?
With best regards,
Naser
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I recommend the CHARMM-GUI website from Wonpil Im's group
http://www.charmm-gui.org/
- use the 'PBD reader' tool
Krzysztof
On 1/25/12 4:29 AM, lina wrote:
Hi,
are there some tips of quick adding missing atoms ( namely hydrogens,
non-titrable ones, or some ligands ones) ?
Thanks,
--
Krz
Hi,
are there some tips of quick adding missing atoms ( namely hydrogens,
non-titrable ones, or some ligands ones) ?
Thanks,
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Sheng Yong yang wrote:
Hi, Dear Gromacs Users,
Seems pdb2gmx just can add hydrogen to the main chain,
not side chain (one can check the tutor demo file). I
wonder whether it is not necessary to add hydrogen on
the side chain in Gromacs or one has to add the side
chain hydrogen by other software.
Hi, Dear Gromacs Users,
Seems pdb2gmx just can add hydrogen to the main chain,
not side chain (one can check the tutor demo file). I
wonder whether it is not necessary to add hydrogen on
the side chain in Gromacs or one has to add the side
chain hydrogen by other software.
I appreciate very much if
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