Re: [gmx-users] Regarding g_sham

2012-06-07 Thread Justin A. Lemkul
On 6/7/12 2:55 AM, bipin singh wrote: Hello All, I have a doubt regarding -tsham option of g_sham (single histogram analysis). While using g_sham do we need to mention the temperature at which simulation were performed or it should be the constant (298.15K) for all analysis ( no matter at what

[gmx-users] Regarding g_sham

2012-06-06 Thread bipin singh
Hello All, I have a doubt regarding -tsham option of g_sham (single histogram analysis). While using g_sham do we need to mention the temperature at which simulation were performed or it should be the constant (298.15K) for all analysis ( no matter at what temperature simulations were performed).

Re: [gmx-users] Regarding g_sham

2011-08-13 Thread bipin singh
Thanks for yor reply... I have read manual but there is no description available for the -map -ls3 -mdata options of g_sham On Sat, Aug 13, 2011 at 15:56, lina wrote: > On Sat, Aug 13, 2011 at 3:36 PM, bipin singh wrote: >> Hello, >> Please let me know from where can I get the full description o

Re: [gmx-users] Regarding g_sham

2011-08-13 Thread lina
On Sat, Aug 13, 2011 at 3:36 PM, bipin singh wrote: > Hello, > Please let me know from where can I get the full description of g_sham > module, as the manual does not > provide full description of the options for g_sham in gromacs. > for e.g I want to know the description about the following optio

[gmx-users] Regarding g_sham

2011-08-13 Thread bipin singh
Hello, Please let me know from where can I get the full description of g_sham module, as the manual does not provide full description of the options for g_sham in gromacs. for e.g I want to know the description about the following options in g_sham: -map -ls3 -mdata -- ---

[gmx-users] Regarding g_sham

2011-08-12 Thread bipin singh
Hello, Please let me know from where can I get the full description of g_sham module, as the manual does not provide full description of the options for g_sham in gromacs. for e.g I want to know the description about the following options in g_sham: -map -ls3 -mdata -- ---