ADL: non-integral charges
carsten.baldauf at biotec.tu-dresden.de
Tue Jan 17 05:58:00 PST 2006
i think i can really accept that a molecule needs to have an integral
but why, each residue needs to have an integer charge? or can i just
REMARK *** ERROR 1 *** Non-integral total charge (0.024) for residue
Boris Gorelik wrote:
>From AutoDock list archive:
>On Sunday, 15 בJanuary 2006 20:29, Kit Fuhrman wrote:
>>I was wondering the same thing. Does anyone have an answer?
>>How would someone go about fixing something like this? Would you have to
>>manually edit the PDB file?
dr carsten baldauf
biotechnologisches zentrum der tu dresden
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