User 00698d4375

14-04-2007 19:53:59

Hi,

I would like to calculate the total charge of a set of molecules at pH=7.4.

I've used Instant JChem and the chemical term: sum (charge("7.4")) but the result is always a low negative value. Apparently, the hydrogen charges are not being summed.

Any suggestion to solve this problem?

Thanks

I would like to calculate the total charge of a set of molecules at pH=7.4.

I've used Instant JChem and the chemical term: sum (charge("7.4")) but the result is always a low negative value. Apparently, the hydrogen charges are not being summed.

Any suggestion to solve this problem?

Thanks