Dear All,
I am using the GROMACS 3.3.3 to practice the lysozyme tutorial of Justin Lemkul
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/index.html.
For the final part grompps, for example "grompp -f npt.mdp -c nvt.gro -t
nvt.cpt -p topol.top -o npt.tpr", it shows the nvt.cpt.trr. cannot be read.
Then I change "grompp -f npt.mdp -c nvt.gro -t nvt.cpt -p topol.top -o npt.tpr"
into "grompp -f npt.mdp -c nvt.gro -t nvt.trr -p topol.top -o npt.tpr", it
works.
I am looking a clarification from you that my change is correct.
Cheers,
Acoot
--
gmx-users mailing list [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
