dublicated residue numbers in PDB/PSF

From: ARTURAS ZIEMYS (ziemys.1_at_osu.edu)
Date: Wed Feb 01 2006 - 09:14:53 CST


I found that my prepared job with VMD contains several segments with the
same chain and there are residues with the same number. For example several TIP3 segments with the same residue numbers. VMD manual notice that there is a caveat about these during manipulation of molecule. I noticed that there something wrong with atom selection in VMD.

Is it important for NAMD just serial number of atoms ? Can be resulsts or calculations influenced in NAMD because of that ?

With best

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