how to specify the atom selection (not error)
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tjrong123 commented
I'm new to MD, can anyone help me with this? I prepared the Martini CG input using Charmm martini membrane builder. I was intended to use the PSF file (step5.psf) and VMD generated DCD file for pycontact analysis. However i kept facing error while loading the files, is that the problem lies on the atom selection?
Has anyone done the pycontact analysis using charmm automated MD input before?
Thank in advances.