Subject: efrag on gamess ?

From: Marcelo Zaldini Hernandes <[email-masked]>
Date: Fri, 10 Mar 2000 10:37:24 -0300

Dear all,

    I tried to do $EFRAG calculations whith gamess, using 49 H2Oef2
water fragments, like:

$efrag
coord=cart  position=fixed
fragname=H2Oef2
O1    2.0 1.0 3.0
H2     3.4 2.1  3.4
H3       4.2 4.5 5.2
fragname=H2Oef2
O1    7.0 3.0 3.0
H2     1.4 5.1  3.4
H3       2.2 1.5 5.2
.
.
.
$end

    When I ran a  CHECK, received this message:

ERROR! EFFECTIVE FRAGMENT  $H2OEF2 NUMBER 1 DOES NOT MATCH STANDARD ONE.

    Anybody knows what it means ?

    Thanks in advance.

--
**************************************
Marcelo Zaldini Hernandes