[gmx-users] ewald,pme + bham potentials
lzheng at me.rochester.edu
Wed Jan 21 21:03:00 CET 2004
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():
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.
>> 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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