Subject: MODELLER and external constraints (such as NMR)
From: chunhua yuan <>
Date: Fri, 22 Jan 1999 13:41:27 -0500
Organization: Department of Chemistry, The Ohio State University
Dear MODELLER users:
I wonder whether anyone have tried to incoporate external
constraints such as those from NMR in modeling.
I have some NMR constraints derived from NOE and want to
incorporate them into molecular dynamics step, but have no idea how to
get start, such as the format (page 72 manual) and the command in TOP
file. By the way, I have got the model using "fully automated
Thanks for any comments.