Dear Mark,
I am very Thankful to you for your valuable suggestion.
On Thu, Jun 7, 2012 at 12:04 PM, Mark Abraham wrote:
> On 7/06/2012 4:33 AM, ramesh cheerla wrote:
>
> Dear Mark,
>
> Thank you for your reply, According to my
> understanding functional form of di
On 7/06/2012 4:33 AM, ramesh cheerla wrote:
Dear Mark,
Thank you for your reply, According to my
understanding functional form of dihedral function type 9 is same as
dihedral function type 1 i.e k (1 + cos(n (phi)- phi s)) except
the difference that function type 9 i
Dear Mark,
Thank you for your reply, According to my
understanding functional form of dihedral function type 9 is same as
dihedral function type 1 i.e k (1 + cos(n (phi)- phi s)) except the
difference that function type 9 is used to handle the multiple potential
functions
On 4/06/2012 3:46 AM, ramesh cheerla wrote:
Dear Gromacs experts,
I am planing to use tabulated
potentials for dihedral functional form Summn over 'n' 0.5*K [ ( Cos
n(phi-phi0)] , Here 1<= n <= 3 . I have three different K values (i.e
K1,K2,K3 ) one for eac
Dear Gromacs experts,
I am planing to use tabulated potentials
for dihedral functional form Summn over 'n' 0.5*K [ ( Cos n(phi-phi0)] ,
Here 1<= n <= 3 . I have three different K values (i.e K1,K2,K3 ) one for
each 'n' value ( Here 'n' is multiplicity). I have
Dear Gromacs users,
I am using tabulated potentials for the dihedrals
of my system, the dihedral function I am using is Summn over 'n' 0.5*K [
( Cos n(phi-phi0)] , Here 1<= n <= 3 .
The C-O-C-C dihedral of my system has three folds those are n= 1 , 2, 3
and three diff
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