01 January 1970 0 6K Report

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

Similar questions and discussions