Thank you very much Justin. It is good now.
Best,Mohammad
From: Justin Lemkul
To: gmx-us...@gromacs.org
Sent: Monday, 29 May 2017, 23:40:06
Subject: Re: [gmx-users] Genion error
On 5/29/17 4:35 AM, Mohammad Roostaie wrote:
> Thank you Justin. Here is the link to access
n the archive. Run the topology through dos2unix and always
make sure to use a plain text editor. See if that works.
-Justin
Kind regards,Mohammad
From: Justin Lemkul
To: gmx-us...@gromacs.org
Sent: Monday, 29 May 2017, 0:21:10
Subject: Re: [gmx-users] Genion error
On 5/28
Sent: Monday, 29 May 2017, 0:21:10
Subject: Re: [gmx-users] Genion error
On 5/28/17 3:43 AM, Mohammad Roostaie wrote:
> Hi All, when I wanted to add ions to the system, I got this error:
> Fatal error:No line with moleculetype 'SOL' found the [ molecules ] section
>
On 5/28/17 3:43 AM, Mohammad Roostaie wrote:
Hi All, when I wanted to add ions to the system, I got this error:
Fatal error:No line with moleculetype 'SOL' found the [ molecules ] section of
file 'gr.top'For more information and tips for troubleshooting, please check
the GROMACSwebsite at
Hi All, when I wanted to add ions to the system, I got this error:
Fatal error:No line with moleculetype 'SOL' found the [ molecules ] section of
file 'gr.top'For more information and tips for troubleshooting, please check
the GROMACSwebsite at http://www.gromacs.org/Documentation/Errors
However,
Thanks Justin problem solved.
Cheers
James
On Sat, May 16, 2015 at 9:21 AM, Justin Lemkul wrote:
>
>
> On 5/15/15 4:53 PM, James Lord wrote:
>
>> Hi Justin,
>> Thanks for your email. I have modified it and the topology looks fine to
>> me or
>> at least I can't see any problem with it but still
On 5/15/15 4:53 PM, James Lord wrote:
Hi Justin,
Thanks for your email. I have modified it and the topology looks fine to me or
at least I can't see any problem with it but still genion does not like it?
Would please have a look?
https://drive.google.com/file/d/0B0YMTXH1gmQsSl9KbWhXaWJKc1k/view
Hi Justin,
Thanks for your email. I have modified it and the topology looks fine to me
or at least I can't see any problem with it but still genion does not like
it? Would please have a look?
https://drive.google.com/file/d/0B0YMTXH1gmQsSl9KbWhXaWJKc1k/view?usp=sharing
https://drive.google.com/file
On 5/14/15 1:25 AM, James Lord wrote:
Hi all,
I am trying to neutralize this system (1HFX.gro) and genion is complaining
about solvent not being continuous,then I made the 1HFX_modified.gro in
which
I have replaced HOH from 1HFX.gro with SOL and cut paste them at the end of
the file. I am expec
Hi all,
I am trying to neutralize this system (1HFX.gro) and genion is complaining
about solvent not being continuous,then I made the 1HFX_modified.gro in
which
I have replaced HOH from 1HFX.gro with SOL and cut paste them at the end of
the file. I am expecting gromacs to do the reordering for SOL.
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