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

• Next message: Mortimer Hemmit: "Re: Colvars Harmonic Bias Force Direction"
• Previous message: Josh Vermaas: "Re: Replica exchange problem"
• In reply to: Acharya, Atanu: "Re: Wrong number of basis-sets stored!"
• Next in thread: Alex Balaeff: "Re: Re:Re: Wrong number of basis-sets stored!"
• Reply: Alex Balaeff: "Re: Re:Re: Wrong number of basis-sets stored!"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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

• application/octet-stream attachment: YZZ-config.ORCA-1.namd

• application/octet-stream attachment: YZZ-config.ORCA-1.namd.log

• Next message: Mortimer Hemmit: "Re: Colvars Harmonic Bias Force Direction"
• Previous message: Josh Vermaas: "Re: Replica exchange problem"
• In reply to: Acharya, Atanu: "Re: Wrong number of basis-sets stored!"
• Next in thread: Alex Balaeff: "Re: Re:Re: Wrong number of basis-sets stored!"
• Reply: Alex Balaeff: "Re: Re:Re: Wrong number of basis-sets stored!"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:09 CST