SYBYL: SOLVENT-problem

Peter Reinert PREINERT at cipvax.biolan.Uni-Koeln.DE
Tue Mar 31 12:15:30 EST 1992


Hello,

I have a problem minimizing a solvated RNA-hairpin:

With SOLVENT I put 2 shells of water molecules around the hairpin.
VDW-Bump_Factor was set to 0.7.
Dielectric constant was set to a constant value of 1.0, as described in the
Theory Manual (before invoking SOLVENT).                                     
The stem of the hairpin had been defined as an aggregate before using the
SOLVENT command.
Then I invoked MAXIMIN2 (Kollman_All_Atom force field) to minimize the loop.
Electrostatics should be calculated and periodic boundary conditions were 
applied (default values).
The Minimizer produced a lengthy list of messages like:

Missing atom types for atom G6.O6
Missing atom types for atom G6.H21

and so on....

The list ended with:

MISSING DATA - Force Field atom type is unknown


What have I done wrong?


Please help me,


Thanks in advance,


				Peter Reinert




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