Research:amoeba dev protocol

*optimization performed at level of MP2/6-31G*; DMA  MP2/6-311G**; ESP  MP2/Aug-cc-pvtz

*gdmain file format:
Title MoleculeMP2sp gdmain

File ./311gss-2d2p/c5_311gss.fchk  density MP2
Angstrom
AU
Multipoles
SWITCH 0
Limit 2
Punch ./311gss-2d2p/c5_311gss.punch
Radius H 0.65

Start

Finish

*For Alanine Dipeptide, 7 gas phase conformers are used to fit the multipoles. 
c5, c7a, c7e, alpha_l, alpha_p, beta2, alpha_r