Re: [gmx-users] .n2t file format

2013-07-19 Thread Justin Lemkul
On 7/19/13 8:20 AM, afsaneh maleki wrote: Dear gmx users I scrap lines from some files in oplsaa.ff folder as the following ffnonbonded file: [ atomtypes ] opls_157 CT6 12.01100 0.145 A3.5e-01 2.76144e-01 atomtypes.atp file: opls_157 12.01100 ; all-atom C

[gmx-users] .n2t file format

2013-07-19 Thread afsaneh maleki
Dear gmx users I scrap lines from some files in oplsaa.ff folder as the following ffnonbonded file: [ atomtypes ] opls_157 CT6 12.01100 0.145 A3.5e-01 2.76144e-01 atomtypes.atp file: opls_157 12.01100 ; all-atom C: CH3 & CH2, alcohols also, I looked at /groma