Re: [gmx-users] Continuing runs from 4.5.4 in 4.6.3

On Oct 23, 2013 7:24 AM, rajat desikan rajatdesi...@gmail.com wrote: 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

Re: [gmx-users] Continuing runs from 4.5.4 in 4.6.3

Thank you, Mark! On Wed, Oct 23, 2013 at 2:56 PM, Mark Abraham mark.j.abra...@gmail.comwrote: On Oct 23, 2013 7:24 AM, rajat desikan rajatdesi...@gmail.com wrote: 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

RE: [gmx-users] Continuing runs from 4.5.4 in 4.6.3

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-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of rajat desikan Sent: Wednesday, October 23, 2013 1:24 AM To:

Aw: RE: [gmx-users] Continuing runs from 4.5.4 in 4.6.3

I ran into this, you basically should determine your time frame, and install 4.5.4 if its a problem local (only 1-2 hours), to finish the work, otherwise you need to start from scratch. But I did this with older versions, so do not know about higher versions (such as if theprogrammerseliminated