From: Joshua Adelman (jadelman_at_berkeley.edu)
Date: Fri May 29 2009 - 16:16:29 CDT
The problem is:
Structure (psf) file is either in CHARMM format (with numbers for
atoms types, the X-PLOR format using names is required) or the
segment name field is empty.
Suggestion:
Take a look at the documentation for the PSF file format and compare
what you have to the correct format, paying attention to the columns
for atom types and segment names.
Josh
On May 29, 2009, at 2:05 PM, KIRTANA S wrote:
> While running my simulation I am getting the following error :
> Charm++ fatal error:
> FATAL ERROR: Structure (psf) file is either in CHARMM format (with
> numbers for atoms types, the X-PLOR format using names is required)
> or the segment name field is empty.
> Here I have attached my .psf and my parameter file along with this .
> I would like to have suggestions on this.
>
> Thanks
> <par_all27_prot_lipid.inp><psf.rtf>
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Joshua L. Adelman
Biophysics Graduate Group Lab: 510.643.2159
218 Wellman Hall Fax: 510.642.7428
University of California, Berkeley http://nature.berkeley.edu/
~jadelman
Berkeley, CA 94720 USA jadelman_at_berkeley.edu
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