Re:Re: Wrong number of basis-sets stored!

From: 辛志宏 (xzhfood_at_njau.edu.cn)
Date: Wed Sep 02 2020 - 19:32:23 CDT

Dear Atanu,
Thank you for your help, please find the NAMD config and log file at the attachment.

Zhihong Xin

发件人:"Acharya, Atanu" <aacharya42_at_gatech.edu>
发送日期:2020-09-03 02:45:48
收件人:"辛志宏" <xzhfood_at_njau.edu.cn>
抄送人:"namd-l_at_ks.uiuc.edu" <namd-l_at_ks.uiuc.edu>
主题:Re: namd-l: Wrong number of basis-sets stored!
Dear Zhihong, Seems like there might be a typo in the input file.

ERROR: The following variables were set in the
ERROR: configuration file but are NOT VALID
ERROR: Continuing
FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE

Could you please share you config file?

Atanu

On Sep 2, 2020, at 10:48 AM, 辛志宏 <xzhfood_at_njau.edu.cn> wrote:

Zhihong




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