VMD-L Mailing List
From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Wed Jul 31 2013 - 09:35:13 CDT
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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
- Next message: Upadhyay, Him [him.upadhyay_at_ndsu.edu]: "RE: bypassing MolFrac step"
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- In reply to: surya narayanan chandrasekaran: "bypassing MolFrac step"
- Next in thread: Upadhyay, Him [him.upadhyay_at_ndsu.edu]: "RE: bypassing MolFrac step"
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