Hi,
I am trying to run the equilibration step. I got the below error. could
you explain why it happens?
Thank you
[ymu039-107:17471] *** Process received signal ***
[ymu039-107:17471] Signal: Segmentation fault (11)
[ymu039-107:17471] Signal code: Address not mapped (1)
[ymu039-107:17471] Fail
Hi Justin,
Thanks for reply. I will look into.
On Fri, Mar 23, 2012 at 10:30 AM, Justin A. Lemkul wrote:
>
>
> Spring buds wrote:
>
>> Hi
>>
>> I am trying to average the structure from the last 10ns from 100ns. So I
>> used the command which is below:
>
Hi
I am trying to average the structure from the last 10ns from 100ns. So I
used the command which is below:
g_rmsf –f 100.xtc –s topol.tpr –b 90001 –e 10 –ox traj_avg.pdb
But I got below error:
"Program g_rmsf, VERSION 4.5.4
Source code file: /root/Desktop/gromacs-4.5.4/src/gmxlib/trxio.c,
Hi
A protein sits on the top of another protein (not docking). I then used
pdb2gmx command to generate the topology. Surprisingly, i got five files,
as given below: I think the two proteins are not connected each other. is
it possible to make it one posre and topol file.
Many thanks in advance
On Wed, Jan 25, 2012 at 7:42 PM, Mark Abraham wrote:
> On 25/01/2012 12:54 AM, Spring buds wrote:
>
>
> Removing files in /usr/local/gromacs has no bearing on the contents of
>> /usr/local/bin. If you did 'make links' at the end of the installation,
>> you
lly removed or not.
>>
>>
>> Sure. I will do now
>>
>>
>>Which OS you are working on?
>>
>>
>> Linux (CentOS 5.7)
>>
>> Thanks a lot.
>>
>>
>> >
>> >
>> > On Tue, Jan 24, 2012 at
On Tue, Jan 24, 2012 at 11:49 AM, lina wrote:
> On Tue, Jan 24, 2012 at 11:42 AM, Spring buds
> wrote:
> > Hi lina,
> >
> > Thanks for reply. could you tell me how to remove completly the gromacs
> > installation?
>
> Which commands have you issued?
>
Hi lina,
Thanks for reply. could you tell me how to remove completly the gromacs
installation?
On Tue, Jan 24, 2012 at 2:31 AM, lina wrote:
> On 24 Jan, 2012, at 1:53, Spring buds wrote:
>
> > Dear Gromacs users,
> >
> > Greetings!!!
> >
> > I am very
Dear Gromacs users,
Greetings!!!
I am very new users and I am trying to install grmacs 4.5.5 or 3.3.3 for
past four days. But still I am not able to. So I would like to ask some
questions which are below.
1.My laptop is a dual core, which means two processors?.So should I need to
install MPI?
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