Subject: help with INSIGHT2000

From: "dakshanamurthy sivanesan" <[email-masked]>
Date: Tue, 13 Aug 2002 11:12:35 +0900

Dear CCLs,

This is my second e-mail message, I request you to please post it to
CCLs:

It may a very basic question about charged molecules , for my case its a
protein.

Actually protein contains 2 or more than three chains and each chain
have their ligand in the active site. But for my case I may want retain
only one chain and omit others, and claculate charges on it.

At this point, I am getting the follwowing problem:

1. If I consider all the chains as it is, it shows some what charges
looks less say (-1 or +1)

2. or else, If I reatain only one chain
then charges are very high say from -8 to -28 for some
cases

3. Please note I am using INSIGHT2000

I may want to know basic reason behind this.

Could you please advise me in this regard,

Thanks,

Sincerely,

Sivanesan