sarbani chattopadhyay wrote:
hi,
I want to know that in what situation does the initial velocity to
the starting structure is to
be kept at zero.
Zero velocity corresponds to 0 K.
If you're wondering when you should have gel_vel = yes versus gen_vel = no,
think about what that parameter is defining. It gives random velocities to all
the particles in the system, with the target being gen_temp. If you've started
a simulation, you probably don't want to randomly re-assign the velocities,
giving a temperature that is usually not the target :)
-Justin
thanks in advance
sarbani
------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
