On 8/13/17 4:51 PM, Alex wrote:
A restraint is a biasing potential that disfavors movement, but does not
prevent it. So it is possible that the structure changes.
I actually have a somewhat related question: are there provisions to "freeze" a
particular angle? Not via absolute position r
A restraint is a biasing potential that disfavors movement, but does
not prevent it. So it is possible that the structure changes.
I actually have a somewhat related question: are there provisions to
"freeze" a particular angle? Not via absolute position restraints, but
by turning the enti
On 8/13/17 4:30 PM, Seera Suryanarayana wrote:
Dear gromacs users
First I have done simulations of peptide for 100ns. And then I have
generated the .pdb file after energy minimization by following commands
executed.
gmx trjconv -s em.tpr -f em.trr -o em.pdb
After generation of PDB file, I di
Dear gromacs users
First I have done simulations of peptide for 100ns. And then I have
generated the .pdb file after energy minimization by following commands
executed.
gmx trjconv -s em.tpr -f em.trr -o em.pdb
After generation of PDB file, I did mutation at one position in em.pdb file
and named
