------- Start of forwarded message ------- Envelope-to: [email protected] Delivery-date: Tue, 25 Jun 2002 08:24:13 -0600 Date: Tue, 25 Jun 2002 14:25:32 GMT From: <[email protected]> To: [email protected] In-reply-to: <v04020a11b93e1bf01615@[128.231.106.150]> (message from Rieko Ishima on Tue, 25 Jun 2002 09:16:55 -0400) Subject: Re: xplor CC: [email protected]
Hi Rieko-- This should be the full set of parameters param @TOPPAR:parallhdg_new.pro bond CP NH3 $kbon 1.473 ! CP - proline at N terminus angle CP CP NH3 $kang 103.2 ! CP - proline at N terminus angle HA CP NH3 $kang 109.5 ! CP - proline at N terminus angle CT NH3 CP $kang 112.0 ! CP - proline at N terminus improper HC HC CT CP 50.0 0 -70.0 ! N-term Pro improper HA HA CP NH3 $kchi 0 -70.874 ! CP methylene end If this doesn't fix the problem, please send your pdb file (you omitted it in your previous email). We'll add these parameters to the database for the next Xplor-NIH release. Charles - -- Charles Schwieters email: [email protected] www: http://schwieters.org/cds phone: (301) 402-4914 FAX: (301) 402-2867 ------- End of forwarded message ------- -- Charles Schwieters email: [email protected] www: http://schwieters.org/cds phone: (301) 402-4914 FAX: (301) 402-2867
