AMBER Archive (2007)

Subject: Re: AMBER: Trimannoside Problem

From: Sandeep Kaushik (sandy.thesmitten_at_gmail.com)
Date: Mon Mar 19 2007 - 01:02:54 CST

Hi,
I am using Glycam_04l.dat & Glycam_04.prep files to get topology files
for a trimannoside unit.. it has given me satisfactory CRD and TOP files and
i have done a small simulation using it as well... But now i carefully
looked at the LEaP output and found that there still was an error message
which i missed earlier. It says..

Loading parameters: ./Glycam_04l.dat
GLYCAM PARAMETERS (FOR AMBER 8.0, RESP 0.010), COPYRIGHT CCRC 2004
Loading Prep file: ./Glycam04.prep
 WARNING - 1 of 24 atoms missing charges on atoms lines:
>

I want to know if it is a serious error that should be considered before i
run a simulation or a minor one that can be ignored..
And in case it is some serious message that i need to consider plz tell me
what can i do..

Thanks

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