Subject: LaPack on SX4

From: KATAGIRI Masahiko <[email-masked]>
Date: Thu, 9 Jul 1998 14:46:44 +0900 (JST)

Dear CCLer's

I would like to compile LaPack on NEC SX4.
Does anyone have optimized LaPack code or Makefile on SX4?

Any information will be appreciated.

Thanks in advance.

regards,
-Masa Katagiri

[email-masked]

---

From: Paul Wilkie <[email-masked]>
Date: Fri, 10 Jul 1998 00:17:25 +0100

Dear CCL'ers,

I am a PhD research student at the University of Sunderland, England. Having
recently i.e. yesterday, downloaded the active form of the Insulin Receptor
Kinase with ATP, I have had endless troubles. The main problem is that when I
load in the receptor, the bond order for the ATP and the phosphorylated tyrosine
residues is not recognized causing the full receptor complex to return a " Could
not assign charge " statement even when I charge the appropriate residues.
Although this is a problem that can be, and has been, dealt with, it is highly
annoying. I would be interested in hearing from anyone who has experienced
similar difficulties with 1ir3.pdb from Brookhaven and if there is a simplier
solution other than the long-handed approach that I have had to use i.e. changing
the bond order's manually etc etc. I would also like to hear from those who are
also modeling kinase's esp EGFR and Insulin.

Cheers,

Paul Wilkie