[Towhee-users] μisolation calculation

[Fouad O. <fou...@un...>]

Good morning to all, 

I would like to calculate the  μisolation   chemical potential in NVT ensemble for a pure fluid (methane) using pcff forcefield at a given pressure ,  i read the MCCCS TOWHEE (ALGORITHMS: CHEMICAL POTENTIAL)  notice saying that we have to put NMOLECTYP=0. 
l did do that but I got error messages. I would be grateful if any one could help me. 
Thanks in advance. 

Fouad OULEBSIR 
Ph.D student  
University of Pau 
South-west of France.