(No Subject)

From: monica jain <monica_jain_at_lycos.com>
Date: Thu 08 Mar 2001 03:50:03 -0500

Hello,
I have made a 7 column input file using NMR distance restraint but it is not accepting interproton distances less than 1.8.On running minimization it says check min.out & in that it gave following error -
r1 -> r4 (and r1a -> r4a) must be monotonically increasing; Offending restraint:
******
 H2'1( 26)-H2'2( 27) NSTEP1= 0 NSTEP2= 0
R1 = 1.300 R2 = 1.800 R3 = 1.370 R4 = 1.870 RK2 = 20.000 RK3 = 20.000
I would be obliged for any help.
Thank you in advance.
Monica



Get 250 color business cards for FREE! at Lycos Mail
http://mail.lycos.com/freemail/vistaprint_index.html
Received on Thu Mar 08 2001 - 00:50:03 PST
Custom Search