2011/1/9
Olawale Lukman Olasunkanmi waleolasunkanmi ~
gmail.com <owner-chemistry(_)ccl.net>
Sent to CCL by: "Olawale Lukman Olasunkanmi" [waleolasunkanmi|,|http://gmail.com" target="_blank">gmail.com]
Dear all,
I appreciate your earlier contributions while I was getting started.
Please, how do I correct the following errors emanating from or stopping my
calculations:
1. the gradient norm is too high for force field calculations
2. the gradient norm is too high, results may be inaccurate
Can you suggest a molecular builder that I can readily download and use to
generate my input file?
Thank you in anticipation of your responses.