On 5/22/12 1:26 PM, Seera Suryanarayana wrote:
Dear all gromas users,
While i am running the grompp after first
mdrun command i got the following error.
File input/output error:
pr.mdp
Is there any explanation why is this happening?
It means that file does
On 18/05/2012 4:43 PM, Seera Suryanarayana wrote:
Dear all,
While i am running gromacs software i am getting following
error.Let me know how to over come that error
Fatal error:
number of coordinates in coordinate file (208L_ion.gro, 62283)
does not match topology (20
Dear Suryanarayana Seera
Please check the itp files mentioned in the topol.top and what u used in
your commands. Especially check the solvent model. May be you have not changed
that in the topol.top file.
From: gmx-users-boun...@gromacs.org [gmx-users-boun...
On Fri, Apr 27, 2012 at 3:17 PM, seera suryanarayana wrote:
> Respected Sir,
>
> While i am running gromacs software i am getting the
> following error.Kindly knowing me how to over come the error.
>
> Fatal error:
> numbe
On 27/04/2012 5:07 PM, seera suryanarayana wrote:
Respected Sir,
While i am running the gromacs software i am
getting the following error.Kindly knowing how to over come the error.
Fatal error:
Residue 'CCN' not found in residue topology database
http://www.gromacs.org/Do
On 27/04/2012 3:53 PM, seera suryanarayana wrote:
Respected sir,
While i am running the gromacs software i am
getting the following error.Kindly tell me how to over come the error.
Fatal error:
Atom HA in residue LYS 1 was not found in rtp entry LYSH with 15 atoms
while sor
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