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Request for ACEMD supporting CGenFF 4.0 halogen groups #860

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ismaelresp opened this issue Mar 18, 2019 · 3 comments
Open

Request for ACEMD supporting CGenFF 4.0 halogen groups #860

ismaelresp opened this issue Mar 18, 2019 · 3 comments
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@ismaelresp
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ismaelresp commented Mar 18, 2019 •
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There are any future plans for ACEMD to support colinear lone pairs in NAMD Drude-like PSF format?
These are necessary for CGenFF 4.0 halogens.
See issue #853.
@ismaelresp ismaelresp changed the title Request for ACEMD supporting CGenFF 4.0 aromatic halogen groups Request for ACEMD supporting CGenFF 4.0 halogen groups Mar 18, 2019
@stefdoerr
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@raimis do you know something about this?

@raimis
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raimis commented Mar 19, 2019

@ismaelresp

At the moment, we do not have plans to support the co-linear lone pairs.

@stefdoerr
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Related to this issue #888

@vas2201 vas2201 mentioned this issue Mar 15, 2023
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@raimis @ismaelresp @stefdoerr @j3mdamas