From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Wed Oct 25 2006 - 11:30:56 CDT
Do these atoms exist in your pdb files? Are they rightly accounted for in
your topology (bonds, etc)? The error can only arise from these 2 sources.
On 10/25/06, Vishal Kopardé <vnk_sim_at_yahoo.co.uk> wrote:
>
> Hi All,
> During the making of the .psf file using psfgen I got these
> "warnings", what do they mean and whats their consequence:
> reading coordinates from pdb file frag7.pdb for segment I7
> Warning: failed to set coordinate for atom O ASN:21 I7
> Warning: failed to set coordinate for atom OXT ASN:21 I7
> I got these warnings consistently for the last two atoms in
> each protein fragment.
> Regards,
> Vishal
> p.s. complete psfgen output attached.
>
>
>
-- **************************************** Neelanjana Sengupta, PhD student Dept. of Chemistry Univ. of California-Irvine Irvine, CA 92697 USA Phone: 1-949-824 9921 email: sengupta_at_uci.edu ****************************************
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:42:44 CST