VMD-L Mailing List

From: himanshu chandola (beu99419_at_ccsun50.iitd.ernet.in)
Date: Mon Jan 19 2004 - 15:44:29 CST

hi everyone,
          i tried making a psffile from a molecule containing multiple
chains with hetero atoms in different chains. So - i made a segment for
each chain and placed the hetero atoms in one segment. Now - each hetero
atom has a number placed according to its chain. So when i run psfgen - i
get an error - that multiple id's for same atom.

Any thing which i might been missing. I tried placing hetero atoms of each
chain into different segments - but that gives results like some atoms
having uninitialized coordinates - so i think it would be better to place
all hetero atoms in one segment.

thanks in advance,

himanshu chandola

iit delhi