[gmx-users] script

Benson Muite benson_muite at emailplus.org
Thu Mar 7 16:03:57 CET 2019


This is a welcoming and friendly community, with somewhat busy but still 
nice people. The manual is available at:

http://manual.gromacs.org/documentation/

One can search for temperature information here:

http://manual.gromacs.org/documentation/current/reference-manual/index.html

to find :

http://manual.gromacs.org/documentation/current/user-guide/mdp-options.html?highlight=temperature

On 3/7/19 4:56 PM, Quyen Vu wrote:
> my question for you: have you ever read gromacs manual/documentation?
>
> On Thu, Mar 7, 2019 at 1:14 PM Amin Rouy <aminrou1986 at gmail.com> wrote:
>
>> Hi
>>
>> I would like to change the temperature of the simulation (NPT.mdp) inside
>> my bash script, any one has idea?
>> thanks
>> --
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