VMD-L Mailing List

From: Denish Poudyal (qrystal45_at_gmail.com)
Date: Mon Feb 26 2018 - 20:26:08 CST

Dear all,
I am working with protein(4LNX.PDB) and it has residues like T3 and
T44(which is infact T4 molecule). I splitted the pdb into T3.PDB, T4.PDB
and the pdb containing only proteins(4lnxprot.pdb). Running psfgen
generated psf for 4lnxprot.pdb, but cant work for T3 & T4.pdb. So I
converted these smaller pdbs to .mol2 and generated their psfs using
SwissParam(www.swissparam.ch). But the problem is, so generated psfs are
not being merged. It shows error "psfgen) reading structure from psf file
T3.psf
psfgen) error reading atoms from psf file

MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.". So help
me on generating psf using psfgen for smaller molecules or help me to merge
so generated psfs.
Thank you. 

-- 
*Denish PoudyalCDPTU, Nepal*