On May 22, 2017, at 4:48 PM, Eric Pettersen <pett@cgl.ucsf.edu> wrote:

This particular bug was fixed on the 19th — if you get the current daily build you won’t get this “coercing to Unicode” error.

—Eric

Eric Pettersen

UCSF Computer Graphics Lab

 

From: Paul Buscemi [mailto:busce004@umn.edu] 
Sent: Saturday, May 20, 2017 5:02 PM
To: chimera-users@cgl.ucsf.edu BB
Subject: Input from Avogadro, solvation.

 

 

 

Dear Chimera,

 

Three basic questions:

 

I’m using Avogadro to construct my models and import as mol2 or pdb types. I often obtain messages as

 

<PastedGraphic-1.png>

 

or  that the atom is not “listed” .  

 

Is there a preparation I can use for transfer of models ? Alternatively do  you suggest any other program to construct models ?

 

2) If I use Tools > Amber> solvate to solvate a model,  should I use the “Start solvate tool” under  when starting a MD run  ?  

 

 

3) Im considering building a multicore system  ( two 16 core Xeon’s)  as a 64 bit system would Chimera take advantage of the multi-core system ?

Would the upgrade funds be better spent on memory  or just a great CUDA GPU ?

 

Regards,

 

Paul Buscemi,

UMN BICB

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