[gmx-users] g_energy

Arie Cohen acohen at biochem.duke.edu
Mon Nov 9 06:53:25 CET 2009


Thanks allot for your ultrafast response and above all 
your help

Arik


On Mon, 09 Nov 2009 16:29:42 +1100
  Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
>Arik Cohen wrote:
>> Hi,
>> 
>> Is there a way to tell the g_energy program the output 
>>option(i.e. 
>> Potential, Temperature ....) in advance  when you run 
>>the program. 
>> Namely, I would like to know if there is a flag that I 
>>can give the 
>> program and thus skip the part when the g_energy program 
>>asks for an 
>> input for the Potential/Temperature... option(much like 
>>-ff for the 
>> force field in the runmd program)
>
>See 
>http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive
>
>Mark
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