[gmx-users] Is there a way to protonate small molecules with gromacs without editing ffgmx2.hdb file?

[ms]

On 02/07/10 21:15, David van der Spoel wrote:
> On 2010-07-02 22.00, Arthur Roberts wrote:
>> Hi, all,
>>
>> Is there a way to protonate small molecules with gromacs without editing
>> ffgmx2.hdb file?
> No, but try the prodrg server.

(just to be sure) Can't one modify the .gro and .top by hand?
Massimo

>>
>> Sincerely,
>> Art
>>
>> Art Roberts
>> 7254 Shoreline Dr. #130
>> San Diego, CA 92122
>> cell: 206-850-7468
>> email: aroberts99163 at yahoo.com
>> skype=aroberts92122
>>
>>
>>
>>
>>
>
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