Concatinated comments from Bob von DreeleFrom: vondreele@lanl.gov (Bob Von Dreele) Date: Wed, 14 Mar 2001 14:40:01 -0700 To: Lachlan Cranswick [lachlan@ldeo.columbia.edu] >Is there a way to only change "bond restraint ESDs" in EXPEDT? > i.e., change the ESD of bond restraints 1 to 600 to 0.05 ? Right now only by hand editing the exp file. I'll look into changing this.
From: vondreele@lanl.gov (Bob Von Dreele) Date: Wed, 14 Mar 2001 16:43:08 -0700 To: Lachlan Cranswick [lachlan@ldeo.columbia.edu] >I have been avoiding playing with the EXP file by hand in case I >did something that causes everything to go haywire. The main thing is to preserve the format for the items. The exp file is read in fixed format. The record lengths are fixed at 80 characters but expedt can fix most mistakes and make a new one. |