On 21/03/2012 10:17 PM, francesco oteri wrote:
OK,
but for some AMBER dihedral the same goal has been obtained using an X
for i and l atoms,
like:
X FE SS X 9 0.000.0 4
Why the same approach wasn't used for OPLSAA?
Assuming Justin's right, then either appr
OK,
but for some AMBER dihedral the same goal has been obtained using an X for
i and l atoms,
like:
X FE SS X 9 0.000.0 4
Why the same approach wasn't used for OPLSAA?
Il giorno 21 marzo 2012 11:35, Justin A. Lemkul ha
scritto:
>
>
> francesco oteri wrote:
francesco oteri wrote:
Dear Gromacs users,
I am working on a program that need topology parsing.
I am using the OPLSAA forcefield and I noticed that in ffbonded.itp file
belonging to this force field there are these strange lines:
[ dihedraltypes ]
; ijkl func coefficient
Dear Gromacs users,
I am working on a program that need topology parsing.
I am using the OPLSAA forcefield and I noticed that in ffbonded.itp file
belonging to this force field there are these strange lines:
[ dihedraltypes ]
; ijkl func coefficients
; Added DvdS for Quartz simu
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