[gmx-users] initial velocities

mah maz mahmaz71 at gmail.com
Wed Dec 24 21:26:36 CET 2014


Many thanks Tsjerk and Justin! You both helped alot.

Regards,
Mah

On Wed, Dec 24, 2014 at 10:10 PM, mah maz <mahmaz71 at gmail.com> wrote:

> Thank you very much Tsjerk! As far as I know .gro files are coordinate
> ones, containing the structure of the system. How is it possible to make
> difference between x,y and z AND vx,vy and vz? Should I write the file like
> coordinate format?
> Regards,
> Mah
>
> On Wed, Dec 24, 2014 at 7:44 PM, mah maz <mahmaz71 at gmail.com> wrote:
>
>> Dear all,
>>
>> I want to apply an initial velocity to my system. Is there a possible
>> way rather than gen_vel in which I can chose my own wanted velocities?
>> And if so, how can I introduce the vx,vy and vz for the atoms?
>>
>> thank you
>>
>>
>>
>>
>


More information about the gromacs.org_gmx-users mailing list