Thank you, Dr. Case and Dr. Ross
Does your answer mean if I make only library file for I-, and don't make
frcmod file,
the parameters, R = 2.35 and EDEP = 0.40, will be used automatically?
Am I right?
David A. Case wrote:
>On Wed, May 04, 2005, Myunggi Yi wrote:
>
>>Where can I get information to read the parm99.dat file?
>>===========================================================================
>>I 126.9 4.690 iodine (Applequist)
>>I -CT 148.0 2.166 Junmei et al,99
>>I -CA 171.0 2.075 Junmei et al,99
>>I -CA-CA 70.0 118.80 Junmei et al,99
>>I -CT-CT 50.0 106.00 Junmei et al,99
>>I 2.35 0.40 JCC,7,(1986),230;
>>======================================================================
>>
>>I know the first line the first colum is mass, and what is the second
>>colum and else?
>>
>
>Please see http://amber.scripps.edu/formats.html#parm.dat.
>
>...dac
>
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Received on Fri May 06 2005 - 14:53:00 PDT
