Entering edit mode
3.1 years ago
Christopher
•
0
I am fairly new to VMD and programming in general. I need to combine two pdb files of subunits into a combined pdb and psf file with both subunits. I used the Namd tutorial and used two pdb files named BChain270VerCTrue.pdb and barn_noH2o_ChainD.pdb and ran this pgn in VMD:
package require psfgen
topology top_all27_prot_lipid.inp
pdbalias residue HIS HSE
pdbalias atom ILE CD1 CD
segment A {pdb BChain270VerCTrue.pdb}
segment D {pdb barn_noH2o_ChainD.pdb}
coordpdb BChain270VerCTrue.pdb A
coordpdb barn_noH2o_ChainD.pdb D
guesscoord
writepdb BarnaseBarnstar270True.pdb
writepsf BarnaseBarnstar270True.psf`
However, this creates a sort of mangled pdb that has both subunits covalently bonded. How could I fix this?
This is how the two pdb files look when just used separately in VMD:
This is what the code spits out: