Re: [ccp4bb] Refmac: ADP is non-positive

2012-07-25 Thread Ethan Merritt
2012 at 11:27 AM > Subject: Re: [ccp4bb] Refmac: ADP is non-positive > To: wtempel > Cc: CCP4BB@jiscmail.ac.uk > > > On Tuesday, 24 July 2012, wtempel wrote: > > CCP4ers, > > > > a log file from Refmac_5.7.0027 presents me with this line: > > > > >

[ccp4bb] Refmac: ADP is non-positive

2012-07-24 Thread wtempel
38, 33A**2, respectively. Could refmac just be taking exception to the missing N atom? -- Forwarded message -- From: Ethan Merritt Date: Tue, Jul 24, 2012 at 11:27 AM Subject: Re: [ccp4bb] Refmac: ADP is non-positive To: wtempel Cc: CCP4BB@jiscmail.ac.uk On Tuesday, 24 July 2012, wte

Re: [ccp4bb] Refmac: ADP is non-positive

2012-07-24 Thread Ethan Merritt
On Tuesday, 24 July 2012, wtempel wrote: > CCP4ers, > > a log file from Refmac_5.7.0027 presents me with this line: > > > Problem with the ADP of the atom N A 3 ADP is non-positive > -1.7740907E+35 > > > I did not explicitely refine ADPs or TLS. > Should I modify my model when I

[ccp4bb] Refmac: ADP is non-positive

2012-07-24 Thread wtempel
CCP4ers, a log file from Refmac_5.7.0027 presents me with this line: Problem with the ADP of the atom N A 3 ADP is non-positive -1.7740907E+35 I did not explicitely refine ADPs or TLS. Should I modify my model when I encounter such a message? If yes, does the message refer to a