Hello dear gmx-users!<br><br>When calculated forces in gromacs to produce pmf, we have the net force in output. For example:<br>...<br>#<br># Giving Russians Opium May Alter Current Situation<br>#<br>@    title &quot;Pull force&quot;<br>
@    xaxis  label &quot;Time (ps)&quot;<br>@    yaxis  label &quot;Force (kJ/mol/nm)&quot;<br>@TYPE xy<br>0.000000                1017490.761270<br>0.002000                -253098.034916<br>0.004000                -43856.400160<br>
0.006000                48980.619113<br>0.008000                52103.053067<br>0.010000                33788.090031<br>0.012000                19096.388350<br>0.014000                14094.738810<br>0.016000                14027.621966<br>
0.018000                15162.993741<br>0.020000                14136.978177<br>... etc.<br><br>What sould I do to get the net force of protein-solvent interactions or protein-protein interactions or solvent-solvent interactions instead and get output .xvg file in the form like this:<br>
<br>time     Force(type1)    Force(type2)    Force(type3)<br><br>t1         f1                   f1                    f1<br>t2         f2                   f2                    f2<br>t3         f3                   f3                    f3<br>
...        ...                   ...                    ...<br>etc.<br><br>Thank you for attention and I hope you will help me!<br>