Dear Gmx Users,
My system is made of 3 proteins. As I want to use distance restraints
dynamics between atoms belonging to each of them I have to produce topoloy
with one moleculetype. I used pdb2gmx -chainsep interactive (I used merge:
yes).
Then when I process to grompp the error: unknown cmap
On 25/05/2012 7:52 PM, Steven Neumann wrote:
Dear Gmx Users,
My system is made of 3 proteins. As I want to use distance restraints
dynamics between atoms belonging to each of them I have to produce
topoloy with one moleculetype. I used pdb2gmx -chainsep interactive (I
used merge: yes).
On Fri, May 25, 2012 at 4:18 PM, Mark Abraham mark.abra...@anu.edu.auwrote:
On 25/05/2012 7:52 PM, Steven Neumann wrote:
Dear Gmx Users,
My system is made of 3 proteins. As I want to use distance restraints
dynamics between atoms belonging to each of them I have to produce topoloy
with one
On 5/25/12 5:52 AM, Steven Neumann wrote:
Dear Gmx Users,
My system is made of 3 proteins. As I want to use distance restraints dynamics
between atoms belonging to each of them I have to produce topoloy with one
moleculetype. I used pdb2gmx -chainsep interactive (I used merge: yes).
Then
On Fri, May 25, 2012 at 2:34 PM, Justin A. Lemkul jalem...@vt.edu wrote:
On 5/25/12 5:52 AM, Steven Neumann wrote:
Dear Gmx Users,
My system is made of 3 proteins. As I want to use distance restraints
dynamics
between atoms belonging to each of them I have to produce topoloy with one
On 5/25/12 5:04 PM, Steven Neumann wrote:
On Fri, May 25, 2012 at 2:34 PM, Justin A. Lemkul jalem...@vt.edu
mailto:jalem...@vt.edu wrote:
On 5/25/12 5:52 AM, Steven Neumann wrote:
Dear Gmx Users,
My system is made of 3 proteins. As I want to use distance restraints
Dear Gromacs users,
I have built a protein embedded in popc bilayer and executed pdb2gmx using
charmm27 ff on the system and the toplogy file was created without errors,
but when wanted to minimise the system with grompp i am getting an error as
: unknown cmap torsion between atoms 8377 8379 8381
Hi Mark,
Thanks for the response.
I have built this system (protein in popc bilayer using charmm GUI) and
submitted the total built system to pdb2gmx, is this the reason for having
unknown CMAP torsion while executing grompp, by the way pdb2gmx doesnot
show any error. Cant the charmm gui built
On 1/11/2011 2:16 PM, ram bio wrote:
Hi Mark,
Thanks for the response.
I have built this system (protein in popc bilayer using charmm GUI)
and submitted the total built system to pdb2gmx, is this the reason
for having unknown CMAP torsion while executing grompp, by the way
pdb2gmx doesnot
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