VMD-L Mailing List

From: Hazel, Justin (justin.hazel_at_myemail.indwes.edu)
Date: Fri Jul 06 2018 - 09:55:10 CDT

Ushasi,

Molfacture is not able to take a .str file input, as it is primarily used to generate .pdb or .mol2 files. I recommend using your .mol2/.pdb and .str files to create the corresponding files in the "Prepare Parameterization from CGenFF Program Output" section of the BuildPar tab in ffTK. This should generate the .par files based on CGenFF data as well as a .pdb and .psf pair to work with. I hope this helps!

Justin Hazel

Indiana Wesleyan University

________________________________
From: owner-vmd-l_at_ks.uiuc.edu <owner-vmd-l_at_ks.uiuc.edu> on behalf of Ushasi Pramanik 1710228 <ushasi17_at_iiserb.ac.in>
Sent: Friday, July 6, 2018 6:43:07 AM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: Importing .str file generated by ParamChem to molefacture in VMD

Hi,
I am using ffTK plugin to generate CHARMM compatible parameters and for this I have generated .str file for my molecule by ParamChem but I am not able to import the .str file to molefacture in VMD for further proceedings.
Please help me regarding this.

Thanks,
USHASI 

--
USHASI PRAMANIK
Ph.D. student
IISER Bhopal
Dept of Chemistry
Thesis Supervisor: Dr. Rajesh Kumar Murarka
Academic Building 2, Lab No. 202
Roll No. 1710228
Computational Biophysics and Soft Matter Group
<https://home.iiserb.ac.in/~rkm/>
https://home.iiserb.ac.in/~rkm/
email: ushasi17_at_iiserb.ac.in<mailto:ushasi17_at_iiserb.ac.in>