[gmx-users] bug in gmx_potential.c

[Matt Ziegler]

All,

 

The output to field.xvg from the g_potential function appears to be off by a
factor of 10^9.  

 

Line 260 of gmx_potential.c reads

 

            (*slField)[n][i] = ELC * (*slField)[n][i] * 1E18 / EPS0;

 

It should read 

 

            (*slField)[n][i] = ELC * (*slField)[n][i] * 1E9 / EPS0;

 

This affects both the 3.2.1 version and the new 3.3 version source code.

 

Thanks,

 

Matt

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