Hi
I am trying Alanine Scanning in VMD with a proteinn containing 3 chains.
Chain A : 4-109 aa
Chain B: 1-200 aa
Chain C: 1-200 aa
I created .psf (autopsf gen) and .pdb files and have an .xtc file from Gromacs MD simulation as FEP input files.
The setup gives an error that id4 (res 4 of chain B) already exists. VMD confusing it with res4 of chain A.
How can I setup the chain as separately so VMD doesn't read all chains as 1 chain ?
Attached the VMD error log.
Thanks