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gmx_MMPBSA: step3,awk: cmd. line:468: (FILENAME=_pid.pdb FNR=119376) warning: exp: argument 886.554 is out of range

> For exponential function `exp(x)`, if x is out of range (valid range is about |x|

gmx_MMPBSA: step3,awk: cmd. line:468: (FILENAME=_pid.pdb FNR=119376) warning: exp: argument 886.554 is out of range

I have already run the example ,the result also has no PB or SA value, as below. #Frame Binding( with DH ) | MM ( with DH ) PB SA...

gmx_MMPBSA: step3,awk: cmd. line:468: (FILENAME=_pid.pdb FNR=119376) warning: exp: argument 886.554 is out of range

Dear Dr. Li, I have reproduced the example of gmx_MMPBSA on my computer, there is no error report in log file. But the values of PB, SA are also zero....

gmx_MMPBSA: step3,awk: cmd. line:468: (FILENAME=_pid.pdb FNR=119376) warning: exp: argument 886.554 is out of range

Dear Dr. Li, I have reperform the free energy calculation by resetting the APBS. Now I can get the value of PB and SA, but I can not get the...

gmx_MMPBSA: step3,awk: cmd. line:468: (FILENAME=_pid.pdb FNR=119376) warning: exp: argument 886.554 is out of range

Dear Dr. Li, In our system, there is a DNA exist, so as you say, the value is infinite exactly because of this! That is so sad! I wonder if...