subject:"\[gmx\-users\] CCl4 parameters problem"

Re: [gmx-users] CCl4 parameters problem

2008-11-02 Thread Justin A. Lemkul

Hongyan Xiao wrote: Hi, all gmx-users, I obtained the gromos96.1 itp file of CCl_ 4 from the PRODRG program and I modified it to agree with the ffG53a6.itp force field parameters. Please see the following, [ moleculetype ] ; Name nrexcl CL4 3 [ atoms ] ;nr type resnr

[gmx-users] CCl4 parameters problem

2008-11-02 Thread Hongyan Xiao

Hi, all gmx-users, I obtained the gromos96.1 itp file of CCl4 from the PRODRG program and I modified it to agree with the ffG53a6.itp force field parameters. Please see the following, [ moleculetype ] ; Name nrexcl CL4 3 [ atoms ] ; nr type resnr resid atom cgnr charge