[gmx-users] Force field definitions in 4.0 and 4.5
devicerandom at gmail.com
Mon Oct 11 17:05:19 CEST 2010
On 11/10/10 15:45, Justin A. Lemkul wrote:
>> I am currently using GROMACS 4.0.7 with a custom force field I
>> developed (coarse-grained model I am developing). I want to jump to
>> 4.5 , but I wonder if something in the syntax of force fields has
>> changed from 4.0.x to 4.5 :just to know in advance if I have to change
>> the files or if I can just copy-and-paste them :)
> You should be able to rename the files to fit the new directory scheme
> and put all of them together in a <name>.ff subdirectory. I've done that
> with a few custom force fields and it seems to work just fine.
Cool, thanks! I'll see about the new directory scheme.
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