[gmx-users] Re: Error in npt run - box size/ triclinic skew factor

mtso mtso at umich.edu
Wed Oct 31 15:23:06 CET 2012

Thanks Justin,
We're using the tutorial, and those .mdp files as a starting point but
actually running the simulations on the protein PDB ID 2LFM, without adding
a ligand for now, and modifying the .mdp files as necessary.

View this message in context: http://gromacs.5086.n6.nabble.com/Error-in-npt-run-box-size-triclinic-skew-factor-tp5002482p5002494.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.

More information about the gromacs.org_gmx-users mailing list