|From:||Axel Kohlmeyer <akohlmey@...24...>|
|Date:||Fri, 6 Oct 2017 16:52:14 -0400|
Hello Axel,I am creating data for lammps via moltemplate. Then whats the problem in this thread.
And you are not responsible for moltemplate ...right? So its better that let Andrew make an answer.
R. VarshaThanks,On Sat, Oct 7, 2017 at 2:08 AM, Axel Kohlmeyer <akohlmey@...24...> wrote:hi guys,i think this is becoming *very* specific and not really of interest to all of the lammps-users subscribers.this i suggest that you please move this thread off the mailing list. especially, if you keep attaching large uncompressed files.thanks,axel.On Fri, Oct 6, 2017 at 4:25 PM, R. Varsha <varsharani.0909@...24...> wrote:VarshaThanks & Regards,Please help me to debug the issue. I would be always thankful to you if will get correct data from moltemplate.Here I have attached my pdb file & system.data file.Dear Andrew,I went through the first option that is to fix the issues in my pdb file. Therefore, I checked my pdb file very carefully, there are no any incorrect positions of atoms. I found the issues in system.data file regarding atom's coordinates. I think...at the time of processing of moltemplate, something went wrong. Thats why I got incorrect system.data file. It is not taking correctly the atom coordinates values from pdb file.--