VMD-L Mailing List

From: Abhishek TYAGI (atyagiaa_at_connect.ust.hk)
Date: Wed May 04 2016 - 22:20:34 CDT

Hi,

I want to do CG simulations on graphene. I tried to build CG model for graphene, but their is error (shown below). It could be silly to ask this, i am kind of confused to build CG model for graphene. What I did is as follows:

1. Used nanotube builder to mae graphene monolayer and saved it.

2. Opened with CG builder, then I am lost what next i need to do, I got following error.

Error:

Unable to load file 'cg_rap.pdb' using file type 'pdb'.

Unable to load file 'cg_rap.pdb' using file type 'pdb'.

while executing

"mol new "$::cggui::toCGoutpdbfile"" (procedure "::cggui::buildResidueCGExecute" line 29) invoked from within "::cggui::buildResidueCGExecute" invoked from within ".cggui.toCGResidueFrame.applyDB invoke" ("uplevel" body line 1) invoked from within

"uplevel #0 [list $w invoke]" (procedure "tk::ButtonUp" line 22) invoked from within

"tk::ButtonUp .cggui.toCGResidueFrame.applyDB" (command bound to event)

Can anyone please tell me how to make it working.

Thanks in advance

Abhi

Abhishek Tyagi

PhD Student

Chemical and Biomolecular Engineering

Hong Kong University of Science and Technology

Clear Water Bay, Hong Kong