|From:||Axel Kohlmeyer <akohlmey@...24...>|
|Date:||Fri, 6 Oct 2017 16:38:58 -0400|
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.