[AMBER] UnitCell problem:Anisotropy records cannot be placed

From: Zhou, Weijiang <Weijiang.Zhou.bcm.edu>
Date: Mon, 17 Oct 2016 15:03:56 +0000

Dear Amber users,


I am using UnitCell to construct the unit cell of 1iee http://www.rcsb.org/pdb/explore.do?structureId=1iee

RCSB PDB - 1IEE: STRUCTURE OF TETRAGONAL HEN EGG WHITE ...<http://www.rcsb.org/pdb/explore.do?structureId=1iee>
www.rcsb.org
1IEE: Structure of tetragonal hen egg-white lysozyme at 0.94 A from crystals grown by the counter-diffusion method.

After I revised the original pdb file and use that for input, the error came out.

GetPDB >> Error. Anisotropy records for atom 1232 cannot be placed.

If I deleted the atoms from 1232 to the end(all Na ,Cl ,H2O), there was no error.


How to solve that problem?


Thanks,

Weijiang
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 17 2016 - 08:30:03 PDT