[gmx-users] Continuing runs from 4.5.4 in 4.6.3

[Kevin Chen]

There shouldn't be a problem for that. BTW, can you also enter a ticket at
Daigrid.org for this matter?

Thanks

-Kevin


-----Original Message-----
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
On Behalf Of rajat desikan
Sent: Wednesday, October 23, 2013 1:24 AM
To: Discussion list for GROMACS users
Subject: [gmx-users] Continuing runs from 4.5.4 in 4.6.3

Hi,

We recently had a software upgrade in our cluster from gromacs 4.5.4. to
gromacs 4.6.3.. I need to continue an earlier simulation that had been run
in 4.5.4. using the .cpt, .tpr and .mdp.

Are there any issues with continuing these runs in 4.6.3.? Can I concatenate
these trajectories for later analysis?

I notice that I cannot use a 4.6.3 .cpt and .tpr in 4.5.4.

Any input will be appreciated. Thanks.

--
Rajat Desikan (Ph.D Scholar)
Prof. K. Ganapathy Ayappa's Lab (no 13), Dept. of Chemical Engineering,
Indian Institute of Science, Bangalore
-- 
gmx-users mailing list    gmx-users at gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the www
interface or send it to gmx-users-request at gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists