VMD-L Mailing List

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Tue Mar 15 2016 - 02:53:21 CDT

If the atoms are that close, you won’t get any reasonable bond guessing at all. You may want to supply a parameter file to VMD which contains the proper bond information.

 

 

Norman Geist

 

Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im Auftrag von ABHISHEK GUPTA
Gesendet: Samstag, 12. März 2016 04:10
An: vmd-l_at_ks.uiuc.edu
Betreff: vmd-l: Unable to visualize my polymer chains generated using RIS theory using VMD properly

 

Hello,

I am trying to visualize the simple polyethylene chains (multiple chains) consisting of certain number of atoms generated using RIS theory using VMD. I'm using the PDB format to express coordinates to visualize my chains. The chains are very random and at some points multiple atoms of a chain comes very near to each other. Sometimes, even there is inter chain overlapping and multiple atoms of different chains comes in close vicinity of each other. In such a situation, while visualizing via. VMD, there appears a bond between those close or very close atoms within a chain or between two chains. Therefore, the visulaization by VMD shows that number of bonds is much greater than the number of atoms and forms a cage like structure (in some cases) between the closely spaced or overlapping atoms. What might be the possible cause of this ? Does VMD connects Atoms taking in some distance criterion ? Can we change that distance criteria that VMD utilize to connect the atoms of a polymer chain in succession ?

Thanks and Regards

Abhishek Kumar Gupta