From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Wed Jul 31 2013 - 09:35:13 CDT

Surya,

When starting up Molefacture there is a popup window in which you can specify a selection of the structure to load, e.g., type "all" in this box followed by clicking on the "Start Molefacture" button.

Regards,
Christopher Mayne

Upon starting
On Jul 31, 2013, at 5:50 AM, surya narayanan chandrasekaran wrote:

hi,

this regarding first step in FFTK If i have already a PDB file, if i load in VMD then go for Molfrac step the first step used to give atom types and psf file generation. the molecule disappears. I don't want to make a new structural generation because the alignment of molecule is so important to me. so kindly help me in this regard how can i give the PDB file as input to generate PSF file.

Thank you

--
Suryanarayanan C
M.S Chemist
01742857830