[gmx-users] editconf

Shine A shine.a at iisertvm.ac.in
Mon Jan 13 16:36:00 CET 2014


Dear GMX-Users,

                      For understanding the aggregation propensity of the
peptide I did a 1 us md simulation with periodic boundary. I defined a
triclinic box around my peptide using editconf. The command I used is the
following
editconf -f tau_pep.gro -bt triclinic -d 1.1 -princ -o box.gro.
 Here -d 1.1 make any problems in the simulation?Is the value is
appropriate?


More information about the gromacs.org_gmx-users mailing list