[gmx-users] How can I add hydrogen?

[Florian Haberl]

Hi,


On Tuesday, 6. November 2007 18:13, Eudes Fileti wrote:
> Dear gmx users
> I run a simulation of the liquid of acetonitrila (OPLS-UA) and I
> need of the configurations with explicit hydrogen atoms.
> Somebody could help me add the H atoms to configurations?
> eef


try

protonate -h



Greetings,

Florian

-- 
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 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
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 D-91052 Erlangen
 Telephone:  	+49(0) − 9131 − 85 26573
 Mailto: florian.haberl AT chemie.uni-erlangen.de
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