Re: [gmx-users] regarding hydrogen bond correlation function for Cdd for TIP4P/2005 water model

2017-09-13 Thread Abhinav Srivastava (P14CHM002)
(0)18 471 4539 > erik.markl...@kemi.uu.se<mailto:erik.markl...@kemi.uu.se> > > On 13 Sep 2017, at 06:16, Abhinav Srivastava (P14CHM002) < > srivastav...@iitj.ac.in<mailto:srivastav...@iitj.ac.in>> wrote: > > Dear Gromacs Users, > > Kindly consider this as my quer

[gmx-users] regarding hydrogen bond correlation function for Cdd for TIP4P/2005 water model

2017-09-12 Thread Abhinav Srivastava (P14CHM002)
Dear Gromacs Users, Kindly consider this as my query mail as in the last mail, subject line was not complete. I apologize for the same . I am trying to calculate hydrogen bond correlation function Cdd(t) for bulk water (TIP4P/2005 water) using reversible geminate recombination as mentioned in

[gmx-users] regarding

2017-09-12 Thread Abhinav Srivastava (P14CHM002)
Dear Gromacs Users, I am trying to calculate hydrogen bond correlation function Cdd(t) for bulk water (TIP4P/2005 water) using reversible geminate recombination as mentioned in Markovitch et al., J. Chem. Phys.,129,084505(2008). Following is the command which I have used : g_hbond -f NVT.xtc -s

[gmx-users] regarding posting queries in gromacs mailing list

2017-05-08 Thread Abhinav Srivastava (P14CHM002)
Dear Gromacs developers, Following is my email address for posting queries to GROMACS srivastav...@iitj.ac.in Best regards, *Abhinav Srivastava* *Research Scholar* Indian Institute of Technology, Jodhpur Rajasthan -- Gromacs Users mailing list * Please search the archive at