20package denoptim.integration.tinker;
22import java.util.HashMap;
36 @SuppressWarnings(
"serial")
38 new HashMap<String,String>()
41 put(
"READXYZ -- Check Connection of Atoms",
42 "Tinker reports inconsistent connectivity. Recompiling "
43 +
"Tinker with a larger value for MAXVAL might solve the "
45 put(
"TORSIONS -- Too many Torsional Angles; Increase MAXTORS",
46 "Recompiling Tinker with a larger value for MAXTORS might "
47 +
"solve the problem.");
48 put(
"BITORS -- Too many Adjacent Torsions; Increase MAXBITOR",
49 "Recompiling Tinker with a larger value for MAXBITOR might "
50 +
"solve the problem.");
General set of constants used to deal with Tinker.
static final Map< String, String > KNOWNERRORS
Recognised error messages and proposed solutions.