So, when -1 = UFF and molecule.txt is like this:

-0.45
0.138
0.15
0.145

and, when -1 = AMBER99 & GAFF and molecule.txt file is like this:

UF    -0.45
UF    0.138
UF    0.15
UF    0.145

I get different answers for both cases. I should be getting the same answer, correct?

I look forward to hearing from you soon.

Thank you!

I did try to reproduce it and it worked.

The structure file I load is a PDB file like this:

ATOM    515 4H54 MOL     2       9.449  28.801  25.803  1.00 27.40           H   
ATOM    516 5H54 MOL     2      10.702  28.949  24.819  1.00 27.40           H   
ATOM    517 6H54 MOL     2       9.249  28.650  24.222  1.00 27.40           H   
ATOM    518 Pd54 MOL     2      10.279  18.052  11.677  1.00  8.86          Pd2+

I get the following error: Error encountered while loading atom 517 in this file!

My molecule.txt (where the charges and types are written) was like this:

-0.45
0.138
0.15
0.145

This gives an error.

Now, it is like this:
UF    -0.45
UF    0.138
UF    0.15
UF    0.145

This worked for me.

But, is this correct?

I look forward to hearing from you soon.

Thank you!

If you simply want to use UFF forcefield, only atomic charges should be given in the molecular file, because UFF defined only one atomic type for each element, thus you do not need to explicitly specify atom types.

I get the following error while trying to run an EDA-FF analysis:

"Error encountered while loading atom in this file!"

I'm trying to use the Universal Force Field (UFF). This happens when I try to load the atomic charges and types.

Any help would be much appreciated!

Thank you