Thank You
*Anurag Dobhal*
*Graduate Student (Bioprocess Technology)*
*Institute of Chemical Technology, Mumbai*
*Contact: +91 8898486877*
On Fri, Jun 17, 2016 at 5:02 PM, Justin Lemkul wrote:
>
>
> On 6/17/16 6:26 AM, Anurag Dobhal wrote:
>
>> Dear Justin,
>>
>> I have already added the H t
On 6/17/16 6:26 AM, Anurag Dobhal wrote:
Dear Justin,
I have already added the H to the guanine molecule striped from the
nucleotide.
The charges given in the ffnonbonded.itp for all the atoms of guanine
(Including the H on N9) do not add to zero.
As I said, those charges mean nothing. You
Dear Justin,
I have already added the H to the guanine molecule striped from the
nucleotide.
The charges given in the ffnonbonded.itp for all the atoms of guanine
(Including the H on N9) do not add to zero.
*Anurag Dobhal*
*Graduate Student (Bioprocess Technology)*
*Institute of Chemical Tec
On 6/17/16 4:42 AM, Anurag Dobhal wrote:
Dear Gromacs users,
I want to simulate Guanine ( a nitrogenous base) molecules in water using
OPLS AA force field.
I used the "opls aa" parameters from atomtypes.atp ((JACS,113,2810(1991)).
on calculating the total charge of one molecule it comes to a
Dear Gromacs users,
I want to simulate Guanine ( a nitrogenous base) molecules in water using
OPLS AA force field.
I used the "opls aa" parameters from atomtypes.atp ((JACS,113,2810(1991)).
on calculating the total charge of one molecule it comes to a negative
value.
dose it means that guanine h
