From: snoze pa (snoze.pa_at_gmail.com)
Date: Tue Apr 11 2006 - 12:27:27 CDT
Hi,
I have a general question about psfgen. When We use psfgen to create
psf files, it add more atoms in the final pdb file, eg in case of ALA,
the original system is
ATOM 351 N ALA G 12 44.524 12.388 34.365 1.00 95.86 N
ATOM 352 CA ALA G 12 43.995 12.940 35.608 1.00 96.87 C
ATOM 353 C ALA G 12 45.097 13.350 36.586 1.00 97.26 C
ATOM 354 O ALA G 12 44.942 13.202 37.800 1.00 97.93 O
ATOM 355 CB ALA G 12 43.063 11.924 36.267 1.00 96.68 C
How ever, After using psfgen it creates followiing
ATOM 695 N ALA 12 44.524 12.388 34.365 1.00 0.00 P
ATOM 696 HN ALA 12 44.484 11.392 34.286 0.00 0.00 P
ATOM 697 CA ALA 12 43.995 12.940 35.608 1.00 0.00 P
ATOM 698 HA ALA 12 43.422 13.836 35.399 0.00 0.00 P
ATOM 699 CB ALA 12 43.063 11.924 36.267 1.00 0.00 P
ATOM 700 HB1 ALA 12 42.237 11.668 35.569 0.00 0.00 P
ATOM 701 HB2 ALA 12 43.606 10.985 36.513 0.00 0.00 P
ATOM 702 HB3 ALA 12 42.612 12.327 37.199 0.00 0.00 P
ATOM 703 C ALA 12 45.097 13.350 36.586 1.00 0.00 P
ATOM 704 O ALA 12 44.942 13.202 37.800 1.00 0.00 P
Any idea.
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