Re: [votca] Exclusion list

2018-04-19 Thread Christoph Junghans
On Thu, Apr 19, 2018 at 8:44 AM, Alexander Alexander wrote: > Hi Christoph, > > On Thursday, April 19, 2018 at 12:19:49 AM UTC-4, Christoph Junghans wrote: >> >> On Wed, Apr 18, 2018 at 9:39 PM, Alexander Alexander >> wrote: >> > Hi >> > Any ideas

Re: [votca] Exclusion list

2018-04-19 Thread Alexander Alexander
Hi Christoph, On Thursday, April 19, 2018 at 12:19:49 AM UTC-4, Christoph Junghans wrote: > > On Wed, Apr 18, 2018 at 9:39 PM, Alexander Alexander > wrote: > > Hi > > Any ideas please? > Sorry, there was no question in your previous email, so I thought it > was just

Re: [votca] Exclusion list

2018-04-18 Thread Christoph Junghans
On Wed, Apr 18, 2018 at 9:39 PM, Alexander Alexander wrote: > Hi > Any ideas please? Sorry, there was no question in your previous email, so I thought it was just FYI. Honestly I haven't seen that kind of issue before. Try to set the min of L-LG, LG-LG and LG-H1 a bit

Re: [votca] Exclusion list

2018-04-18 Thread Alexander Alexander
Hi Any ideas please? Regards, Alex -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to votca+unsubscr...@googlegroups.com. To post to this group, send email to

Re: [votca] Exclusion list

2018-04-13 Thread Christoph Junghans
On Fri, Apr 13, 2018 at 12:00 PM, Alexander Alexander wrote: > Hi Christoph, > Thank you for your response. > > As I pointed out, my goal is to do BI for bonded and IBI for nonbonded; for > the BI bonded, I was wondering If I should consider periodicity for the >

Re: [votca] Exclusion list

2018-04-13 Thread Christoph Junghans
On Fri, Apr 13, 2018 at 8:57 AM, Alexander Alexander wrote: > > Dear all, > > In CG parametrisation of one of my molecule which has 45 atoms, using BI for > bonded and IBI for nonbonded parameters, a 900 ns simulation of the single > molecule in vacuum has been already

[votca] Exclusion list

2018-04-13 Thread Alexander Alexander
Dear all, In CG parametrisation of one of my molecule which has 45 atoms, using *BI for bonded and IBI for nonbonded parameters*, a 900 ns simulation of the single molecule in vacuum has been already completed while I forgot including the exclusions list gotten from csg_boltzmann in to my