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Hi,
For my project I will be using insulin (as monomer, dimer, hexamer) on one OH terminated surface versus one hydrophobic surface; simulating the influence of pH by varying the charge on insulin/the OH terminated surface.
I have downloaded the protein PDB file and converted them into CRD and PSF files using the Tk console on VMD. I have done the same procedure for the silica surface and now want to proceed with a simulation. I assumed that I have to upload these files into the Multi Component Assembler to generate the necessary files for a simulation in CHARMM GUI. However, I get the following message ‘Please check the errors below, and make sure you are uploading CHARMM-formatted PSF/CRD files’ - the files are not CHARMM generated. Is there anyway of converting these?
I am trying to observe the adsorption behaviour of Insulin against a silica surface. Is there any instructions or advice anyone can provide on how I go about performing this?
Any information regarding this would be much appreciated.