Re: [AMBER] Use leaprc.ff99SB force field

From: Jan Wahl <>
Date: Sat, 15 Jan 2011 02:08:11 +0100

Hi thank you for yor reply,

the input coordinates are the same. i used a .mol2 file and converted this file into the pdb format using "babel". this worked before with other molecules but i never tryed it with the leaprc.ff99SB force field. using leaprc will not create a prmtop-file

Am 14.01.2011 um 18:47 schrieb Bill Ross:

>> To check the results i did a calculation using the same structure but
>> now i used a pdb-file to create the prmtop.
>> after the calculation the result is different...
> Maybe the coordinates are different?
> Bill
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Received on Fri Jan 14 2011 - 17:30:02 PST
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