Hello. I'm trying to setup QM/MM for Gaussian03.
http://wwwuser.gwdg.de/~ggroenh/qmmm.html I refer the upper links, but I still can not understand. ======roadmap.pdf (page 6) ======== modified subroutines in l701 • oneeli added an extra argument to Oneeli() for the forces on the point charges subroutine Oneeli(...,FCh) added to the declaration section Real*8 FCh(*) added an extra argument to all PrsmSu() function calls PrsmSu(...,FCh) ======roadmap.pdf (page 6) ======== gau-fsplit -e d1e l701.F ; works fine gau-fsplit -e oneeli l701.F ; no works. So, I do job on l701.F and I can't find 'subroutine Oneeli ()' either Prsmsu ()' in l701.F. Is there any misunderstand about instruction ? regard. yoochan.
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