Hi Xiaoquan,
Atom types ARE case sensitive. Thus ca /= CA /= cA /= Ca - each will be
treated as a completely different atom types even if the actual parameters
for them are the same.
Hope that helps.
All the best
Ross
On 8/11/13 9:36 PM, "egeh00" <egeh00.aol.com> wrote:
>Dear all,
>
>I saw that the names of atomtype are all lower case in gaff.dat, but in
>Glycam_06g.dat the names of atomtype are all upper case. There are some
>same items between the two force field files are the same, such as ho,
>oh, ha, hc. If I use a mix force field with amber and glycam, are they
>the same or different among the items such as HC and hc, HA and ha?
>
>Sincerely,
>
>Xiaoquan Sun.
>
>
>
>2013-08-11
>
>
>
>egeh00
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Received on Sun Aug 11 2013 - 22:00:02 PDT
