I understand it. In my system, there is another Force for calculate electrostatic term. Thank you for your answer!

Thank you for your answer! I understand this situation.But there isn't CustomNonBondedForce in my system. In my system, there are HarmonicBondForce, HarmonicAngleForce, and NonbondedForce. In addition, the CUDA and Reference platforms prompt the same error. I can't understand my case. BTW, I can't a...

Hello, I want to run neat benzene liquid, I write a xml file about force parameters of benzene. I set the size of box to 35 angstrom, the value of cutoff is 15 angstrom, the value of switch distance is 12 angstrom. But I meet a error--"Exception: All Forces must have identical exceptions". In this s...

Thanks! I revise the pdb file and the problem is sorted.

Hello, I want to run neat methanol liquid, I write a xml file about force parameters of methanol. But I meet a error--"ValueError: No template found for residue 1 (MEOH). The set of atoms matches MEOH, but the bonds are different. Perhaps the chain is missing a terminal group?" I can't understand th...

Hello everyone, I create a new subclass Force (named BForce) and BForceGenerator though a plugin(Bplugin), and added it into system. It works. However, getForce() can't get the new subclass Force. It print "<simtk.openmm.openmm.Force; proxy of <Swig Object of type 'OpenMM::Force *' at 0x7faed11c6de0...

Good. Thank you!

Hello,

Does the new vision support python3.7 ?

Thanks!

Huanxi

Hello Lee-ping, Thank you for that. I can't follow you. What does "the overall pre-factor in the objective function" mean? The objective function = w_rho / d_rho**2 * (rho_cal - rho_exp) + w_hvap / d_hvap**2 * (hvap_cal - hvap_exp)... + w_energy /d_energy**2 * (energy_cal - energy_QM), is it? I have...

Hello everyone, I am learning how to use Forcebalance. I can't understand the weight setting, because there are weight, w_rho, and rho_denom. What do these parameters mean? especially the rho_denom in data.csv. I have done a few attempts, and I have found that the weight was the weight of target and...