[gmx-users] extending simulations made with version 3.3.3

[Anna Marabotti]

Dear all,
I conserved all the files produced sometimes ago with a simulation made with
Gromacs 3.3.3 installed on a cluster. I would like to prolonge this
simulation, but I have no longer access to that cluster, instead I can
access another cluster with Gromacs 4.0.X installed. What are the risks of
prolonging the simulation with another version of Gromacs on another
hardware? Would be the results reliable? Moreover, I don't have the .cpt
files, so I imagine I have to follow the old procedure, right? BTW: in the
.trr files I have, forces were saved together with coordinates, velocities
etc.
 
Many thanks in advance and best regards
Anna
 
____________________________________________________
Anna Marabotti, Ph.D.
Laboratory of Bioinformatics and Computational Biology
Institute of Food Science, CNR
Via Roma, 64
83100 Avellino (Italy)
Phone: +39 0825 299651
Fax: +39 0825 781585
Email: anna.marabotti at isa.cnr.it
Skype account: annam1972
Web page: http://bioinformatica.isa.cnr.it/anna/anna.htm
 
"When a man with a gun meets a man with a pen, the man with a gun is a dead
man"
 
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