Re: [gmx-users] Genion error

2017-05-30 Thread ‪Mohammad Roostaie‬ ‪
Thank you very much Justin. It is good now. Best,Mohammad From: Justin Lemkul <jalem...@vt.edu> 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

Re: [gmx-users] Genion error

2017-05-29 Thread Justin Lemkul
in 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 <jalem...@vt.edu> To: gmx-us...@gromacs.org Sent: Monday, 29 May 2017, 0:21:10 Subject: Re: [gmx-users] Genion

Re: [gmx-users] Genion error

2017-05-29 Thread ‪Mohammad Roostaie‬ ‪
gmx-us...@gromacs.org 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 [ molecul

Re: [gmx-users] Genion error

2017-05-28 Thread Justin Lemkul
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

[gmx-users] Genion error

2017-05-28 Thread ‪Mohammad Roostaie‬ ‪
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

Re: [gmx-users] genion error sol not continuous

2015-05-15 Thread James Lord
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