From jaanus.karo@mkem.uu.se Wed Jul 13 17:29:09 2005
Date: Wed, 13 Jul 2005 16:20:17 +0200
From: Jaanus Karo <jaanus.karo@mkem.uu.se>
To: heiki.kasemagi_5536@eesti.ee
Subject: Re: [Fwd: Re: paar ksimust mcgenni kasutamise kohta]

Mis siin tehakse? Logist algusest vljavte:





Creating molecule 1 structure ... <creating seedunit><initializing 
recursion>Do
<choose_fieldconnects>
Note: replaced connect with CF for energy calculations for 
[M01L01C002U0001R01].
Note: new Cx with 0/0 EXC, 1/1 BOND, 6/6 ANG and 2/2 DIH records for 
shift 0.
Note: replaced connect with CF for energy calculations for 
[M01L02C001U0001R01].
Note: new Cx with 0/0 EXC, 1/1 BOND, 3/3 ANG and 1/1 DIH records for 
shift 0.
Note: replaced connect with C2C for energy calculations for 
[M01L01C002U0005R01
Note: new Cx with 0/0 EXC, 1/1 BOND, 6/6 ANG and 3/3 DIH records for 
shift 0.
Note: replaced connect with CF for energy calculations for 
[M01L02C003U0001R01].
Note: new Cx with 0/0 EXC, 1/1 BOND, 3/3 ANG and 1/1 DIH records for 
shift 0.
Note: replaced connect with C2C for energy calculations for 
[M01L01C002U0010R01
Note: new Cx with 0/0 EXC, 1/1 BOND, 6/6 ANG and 3/3 DIH records for 
shift 0.



