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Hi Sebastiano-- > I am new to Xplor: > I am having troubles adding the C amide-conh2 capping to my last > residue. > For some reason when I am trying to convert the pdb file to psf with > generate.inp script the last capping CTN does not get converted(CTN > does not get recognize in the parameter files).I am using protein.top > and protein.par in generate.inp > Is there any patch that I am missing,and if so where should I added it. Please try using seq2psf with the -amidate_cterm option. You'll need to generate a sequence file for this: seq2psf -amidate_cterm input.seq regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.5 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFFZgfbPK2zrJwS/lYRAol0AJ0VxA38ANLLQPmOfddeBtGkHvgesACdETf+ FZJUr0TZwtq3dIcDCN8z2EU= =TRpG -----END PGP SIGNATURE-----
