[gmx-users] ewald,pme + bham potentials

[Lianqing Zheng]

David is right. tables.c has some problem dealing with the EXP part in
buckingham. I added a line before the use of init_table():
fr->tabscale_exp=fr->tabscale;

It kinda of worked, but I don't know if it worked right or not since the
resulted potential is different from the one produced by Moldy.

Lianqing


>> OK, I think your best bet is a table lookup potential. Check archives,
>> manual, and maybe even the code (tables.c)
>
>Thank you for advice. 
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