[gmx-users] problem in creating forcefield.doc
Mark.Abraham at anu.edu.au
Mon Jan 23 07:47:46 CET 2012
On 23/01/2012 5:13 PM, Anushree Tripathi wrote:
> /I am using gromacs 4.5.3 version and I am trying to follow the tutorials. For
> // starting I am following the *KALP15 in DPPC*
> // tutorial(http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/02_topology.html).
> /I am not getting the point that is given below :
> Next, create a|forcefield.doc| file that contains a description of the force field parameters in it. Mine contains something like:
> GROMOS 53A6 forcefield , extended to include Berger force field parameter.
> Please guide me for creating forcefield.doc.
Have a look at the contents of this file in the pre-supplied force
fields. Then look at the normal output of pdb2gmx. The former is used in
the latter to help you pick the force field you want to use.
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