CCP-SAS: SASSIE-web

subject : Unable to run energy minimization module from : ilak email : iku...@umd.edu level :

subject : Unable to run SasCalc (including reference job) from : ilak email : iku...@umd.edu level :

subject : Problems with File Downloading from SasCalc Tutorial from : jessegao email : gaow221@umd.

subject : Unable to run SasCalc from : ilak email : iku...@umd.edu level : suggestion --------------

subject : Unable to run torsion angle monte carlo from : ilak email : iku...@umd.edu level :

Hi, Sassie-web is accessible for user file access. If you wish to use our back-up server to run jobs

Hello, The login node is going to be shutdown this afternoon to allow us to remove the broken compute

subject : Can not connect host from : ruisheucl email : xing...@gmail.com level : critical ---------

Hello, We are unable to turn on our compute node for SASSIE-web. Users can access files and

Server is running and is available for general use. Joseph

Hi, Sorry for the short notice, but sassie-web is off-line due to UTK electrical work. I will send

Hi, Please see the "File Manager" section of the documentation. https://sassie-web.chem.utk

Indeed, the GPUs are currently not accessible. I will update this when we have troubleshooted the

subject : error when trying to run sascalc from : skrueger email : susan....@nist.gov level :

Dear SASSIE-web users, SASSIE-web services are restored. Best wishes, Emre

Hi, For your glycan issue in density plot, you need to choose a unique atom name for that segment/

Hello, The issue should be resolved. Let us know if you have further issues. Cheers, Joseph On Sunday

subject : SasCalc Problem from : xingaoucl email : xin.g...@ucl.ac.uk level : important -----------

Sassie jobs can now be resumed as normal. On Tuesday, November 8, 2022 at 9:45:23 AM UTC-5 mads...@

The last amino acid residue in your PDB is indeed 306, but the first is 28, so you have 306-28 = 278

subject : APBS issue when wet from : emre email : em...@biochem.uthscsa.edu level : important --------

subject : Inquiry on Density Plot Function from : amyxu email : am...@umd.edu level : suggestion ----

Hi. I am looking at your system. It looks, at first glance, like an antibody but the segment/segname

Hi, Looking at your inputs you are requesting 1149 q-points with a maximum q of 0.15 (1/A). When I

subject : SasCal outputresult from : xingaoucl email : xin.g...@ucl.ac.uk level : important -------

Hi, Yes, your DCD is too big. You can separate the DCD into smaller manageable DCD files and try to

Dear SASSIE-web users, We had a brief outage of services today. If you had a job running, you will

Hi, I noticed that you have a typo in one of your inputs: post_basis_string_array":["

subject : PDB Files Do Not Work In Simulation from : astralstar email : catheri...@uconn.edu

subject : NISTmAb Not Working from : astralstar email : catheri...@uconn.edu level : critical ---