VMD-L Mailing List

From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Sun Aug 17 2014 - 21:50:01 CDT

Sorry – forgot to cc this to the list.

From: Tristan Croll
Sent: Monday, 18 August 2014 8:56 AM
To: 'Kevin C Chan'
Subject: RE: vmd-l: Ssrestraints error

That’s not an ssrestraints error, it’s an atomselect error. I just double-checked, and atomselect doesn’t know how to handle that -1 in your resid list (where did that come from, anyway?)

From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of Kevin C Chan
Sent: Thursday, 14 August 2014 9:21 PM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: Ssrestraints error

Dear All,

I have encountered error message when running ssrestraints -

ERROR) syntax error
ERROR) Macro 'none or (segname P1 and resid -1 0 1 145 146 147 148 2 278 279 280 281 292 293 3 300 301 302 303 310 311 312 313 314 320 321 322 323 325 326 327 334 335 336 4 5) or (segname P2 and resid 145 146 147 148 2 263 264 277 278 279 280 292 293 3 300 301 302 303 310 311 312 313 314 315 320 321 322 323 333 334 335 336 358 359 360 4 5) or (segname P3 and resid -1 0 1 145 146 147 148 2 278 279 280 281 292 293 3 300 301 302 303 310 311 312 313 314 320 321 322 323 325 326 327 334 335 336 4 5) or (segname P4 and resid 145 146 147 148 2 263 264 277 278 279 280 292 293 3 300 301 302 303 310 311 312 313 314 315 320 321 322 323 333 334 335 336 358 359 360 4 5)' cannot be parsed.
Unable to create macro for 'ssT'

I have found similar question on the forum (http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/21291.html) which is in exactly the same situation as mine but none was answering.

Thanks so much for any answer.

Kevin