[gmx-users] topology in local?

Nicola Staffolani n.staffolani at unitus.it
Wed May 21 11:22:09 CEST 2014

Dear GROMACS user community,

I have the following problem: I would like to let a simulation run on a
computer where another simulation, prepared by another user, is already
running; my simulation and the simulation of the other user need different
topologies (I mean, for example, the files ffbonded.itp and ffnonbonded.itp
files stored in /usr/share/gromacs/top/forcefield.ff are different; or, to
make things more clear, let's suppose as a condition that user 1 needs to
use charmm27.ff and user 2 gromos43a1.ff). Does anybody know of any
solution where the number of computers is kept constant? What would happen,
for example, if I would put my topology files inside my local working

Thank you very much in advance,


Nicola Staffolani PhD
Biophysics & Nanoscience Centre CNISM <http://www.unitus.it/biophysics>
Università della Tuscia
Largo dell'Università s.n.c., I-01100 Viterbo
email: n.staffolani at unitus.it
tel.: +39 0761 35 70 27; fax: +39 0761 35 71 36

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