Hello,
I'm doing the A08 tutorial (
https://ambermd.org/tutorials/advanced/tutorial8/loop3.htm)
But when adding the MG.off file instead of having this output:
Loading PDB file: ./wt1mg.pdb
Added missing heavy atom: .R<CGLN 154>.A<OXT 18>
total atoms in file: 1189
Leap added 1192 missing atoms according to residue templates:
1 Heavy
1191 H / lone pairs
But in my case is:
Loading PDB file: ./wt1mg.pdb
Warning: Unknown residue: CYS number: 0 type:
Terminal/beginning ..relaxing end constraints to try for a dbase match
Warning: -no luck
total atoms in file: 1189
The file contained 1188 atoms not in residue templates
Any idea why tleap is not recognizing this file ?
There has been any changes on the way of open and reading files in tleap since the tutorial come up ?
Kind regards,
Nicolas Feldman
PhD Student
The Wellcome-Wolfson Institute for Experimental Medicine
Queen's University of Belfast; 97 Lisburn Rd. Belfast, UK BT9 7BL
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Received on Mon Mar 02 2020 - 05:00:01 PST
