Dear Justin,
Do I need to add lipid topology manually, if I use Charmm36 force filed
that have protein and lipid parameters together?
Thanks
Anu
On Fri, Jul 3, 2015 at 4:47 PM, Justin Lemkul jalem...@vt.edu wrote:
On 7/3/15 7:56 AM, anu chandra wrote:
Dear Gromacs users,
I am working
On 7/6/15 7:05 AM, anu chandra wrote:
Dear Justin,
Do I need to add lipid topology manually, if I use Charmm36 force filed
that have protein and lipid parameters together?
You always need a topology for any molecule in the system.
-Justin
Thanks
Anu
On Fri, Jul 3, 2015 at 4:47 PM,
Hi,
You need a topology for each moleculetype, and parameters for the
interactions they require. These are separate issues.
Mark
On Mon, 6 Jul 2015 13:05 anu chandra anu80...@gmail.com wrote:
Dear Justin,
Do I need to add lipid topology manually, if I use Charmm36 force filed
that have
Dear Gromacs users,
I am working with membrane proteins. I have generated the membrane-protein
system ( contains lipids, protein, water and ions) with some specification.
For eg., I have positioned few ions and water molecules at particular
location using some in-house programs. Now, I would
On 7/3/15 7:56 AM, anu chandra wrote:
Dear Gromacs users,
I am working with membrane proteins. I have generated the membrane-protein
system ( contains lipids, protein, water and ions) with some specification.
For eg., I have positioned few ions and water molecules at particular
location
Dear Gromacs users,
I am working with membrane proteins. I have generated the membrane-protein
system ( contains lipids, protein, water and ions) with some specification.
For eg., I have positioned few ions and water molecules at particular
location using some in-house programs. Now, I would
